 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer001_STD_LCPBE_augccpVDZ.in
 Output=08_d-glucose_conformer001_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/08_d-glucose/Gau-23469.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/08_d-glucose/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     23552.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=08_d-glucose_conformer001_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=029600000
 0,3/108=0296000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=296000000,108=296000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Tue Aug 17 15:44:51 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "08_d-glucose_conformer001_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922508000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541846000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123511000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811275000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176051000000     -0.206287000000
  H                                                 1.430942000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471377000000     -0.290315000000
  H                                                 2.491301000000     -2.182395000000      0.056578000000
  H                                                 2.421925000000     -1.030336000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481596000000     -0.225378000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Tue Aug 17 15:44:52 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922508    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541846   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123511    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811275    2.739925    0.096905
     18          1           0       -3.533704   -0.176051   -0.206287
     19          1           0        1.430942    2.597378    0.052923
     20          8           0        3.515463   -0.471377   -0.290315
     21          1           0        2.491301   -2.182395    0.056578
     22          1           0        2.421925   -1.030336    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481596   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727894   4.124973
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369281   1.417706   3.709417   4.150076   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873622   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432224   4.654616
    18  H    3.208731   1.945696   4.407173   4.632951   3.863898
    19  H    2.504982   3.938647   1.945001   3.233059   4.337547
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623916   4.769631   3.463969   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150614   2.686865
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529437   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437739   2.870619   2.578479   0.000000
    10  H    2.141578   2.661450   3.043490   2.078708   0.000000
    11  H    3.247327   2.587942   3.040888   4.036965   2.534271
    12  O    4.152469   2.817519   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611955   4.427557
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907447   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654068   2.377451   2.782300   4.818164   4.197912
    20  O    4.789895   5.372251   4.604604   6.502412   5.503187
    21  H    3.849335   5.789654   4.851188   6.061207   4.957312
    22  H    4.020952   4.958346   4.675131   5.827353   4.301071
    23  H    1.925349   5.005928   4.538512   3.360881   2.509527
    24  H    4.884717   4.768034   4.202993   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751835   2.947624   0.000000
    14  H    3.051637   2.636797   2.142256   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463413   3.700611   5.726706   4.657816   4.963467
    18  H    4.644197   5.592682   6.041104   4.810155   2.508693
    19  H    2.370616   0.965453   3.855865   3.479188   5.971006
    20  O    3.479467   2.817472   1.413151   2.605320   5.895981
    21  H    3.683037   3.968493   1.090076   2.515518   4.595155
    22  H    2.469589   3.225974   1.098430   3.047209   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101833   2.041024   1.939958   2.710347   6.104723
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809621   3.400236   0.000000
    19  H    4.875524   3.245647   5.692698   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355722   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993638   2.087007
    23  H    2.797508   5.194608   2.965819   6.097152   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604224   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109432           0.7353740           0.4929629
 Leave Link  202 at Tue Aug 17 15:44:52 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206295350 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.296000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.296000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Tue Aug 17 15:44:55 2021, MaxMem=  5637144576 cpu:              17.6 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.58D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Tue Aug 17 15:44:56 2021, MaxMem=  5637144576 cpu:               6.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Tue Aug 17 15:44:57 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer001_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Tue Aug 17 15:44:58 2021, MaxMem=  5637144576 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636804468 LenY=  5636637563
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -685.458650043054    
 DIIS: error= 3.33D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -685.458650043054     IErMin= 1 ErrMin= 3.33D-03
 ErrMax= 3.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-02 BMatP= 1.89D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.33D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.438 Goal=   None    Shift=    0.000
 GapD=    0.438 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.73D-03 MaxDP=6.65D-01              OVMax= 2.17D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.68D-03    CP:  9.65D-01
 E= -685.474429000118     Delta-E=       -0.015778957064 Rises=F Damp=F
 DIIS: error= 1.43D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -685.474429000118     IErMin= 2 ErrMin= 1.43D-03
 ErrMax= 1.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.33D-03 BMatP= 1.89D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.43D-02
 Coeff-Com:  0.232D+00 0.768D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.228D+00 0.772D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=1.38D-03 MaxDP=8.64D-02 DE=-1.58D-02 OVMax= 8.70D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.04D-04    CP:  9.51D-01  1.10D+00
 E= -685.476093248492     Delta-E=       -0.001664248374 Rises=F Damp=F
 DIIS: error= 9.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -685.476093248492     IErMin= 3 ErrMin= 9.24D-04
 ErrMax= 9.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-03 BMatP= 4.33D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.24D-03
 Coeff-Com: -0.388D-01 0.407D+00 0.631D+00
 Coeff-En:   0.000D+00 0.307D+00 0.693D+00
 Coeff:     -0.384D-01 0.407D+00 0.632D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=6.28D-04 MaxDP=3.69D-02 DE=-1.66D-03 OVMax= 4.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.97D-04    CP:  9.47D-01  1.15D+00  1.23D+00
 E= -685.477602438694     Delta-E=       -0.001509190203 Rises=F Damp=F
 DIIS: error= 8.17D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -685.477602438694     IErMin= 4 ErrMin= 8.17D-05
 ErrMax= 8.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-05 BMatP= 2.08D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.676D-02-0.717D-02 0.508D-01 0.963D+00
 Coeff:     -0.676D-02-0.717D-02 0.508D-01 0.963D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.24D-04 MaxDP=1.91D-02 DE=-1.51D-03 OVMax= 1.20D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.10D-05    CP:  9.43D-01  1.16D+00  1.39D+00  1.15D+00
 E= -685.477621588066     Delta-E=       -0.000019149372 Rises=F Damp=F
 DIIS: error= 4.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -685.477621588066     IErMin= 5 ErrMin= 4.09D-05
 ErrMax= 4.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-06 BMatP= 1.43D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-02-0.475D-01-0.460D-01 0.409D+00 0.683D+00
 Coeff:      0.183D-02-0.475D-01-0.460D-01 0.409D+00 0.683D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=5.79D-05 MaxDP=5.27D-03 DE=-1.91D-05 OVMax= 3.77D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.13D-05    CP:  9.42D-01  1.16D+00  1.43D+00  1.20D+00  1.22D+00
 E= -685.477625662315     Delta-E=       -0.000004074249 Rises=F Damp=F
 DIIS: error= 9.85D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -685.477625662315     IErMin= 6 ErrMin= 9.85D-06
 ErrMax= 9.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-07 BMatP= 3.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.984D-03-0.110D-01-0.156D-01 0.209D-01 0.177D+00 0.828D+00
 Coeff:      0.984D-03-0.110D-01-0.156D-01 0.209D-01 0.177D+00 0.828D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.36D-05 MaxDP=1.27D-03 DE=-4.07D-06 OVMax= 1.62D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.40D-06    CP:  9.41D-01  1.16D+00  1.44D+00  1.20D+00  1.30D+00
                    CP:  1.16D+00
 E= -685.477625901223     Delta-E=       -0.000000238908 Rises=F Damp=F
 DIIS: error= 4.78D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -685.477625901223     IErMin= 7 ErrMin= 4.78D-06
 ErrMax= 4.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-08 BMatP= 1.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-03 0.220D-02-0.288D-04-0.532D-01-0.163D-01 0.394D+00
 Coeff-Com:  0.674D+00
 Coeff:      0.151D-03 0.220D-02-0.288D-04-0.532D-01-0.163D-01 0.394D+00
 Coeff:      0.674D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=3.41D-06 MaxDP=2.41D-04 DE=-2.39D-07 OVMax= 5.65D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.84D-06    CP:  9.41D-01  1.16D+00  1.44D+00  1.20D+00  1.33D+00
                    CP:  1.18D+00  1.21D+00
 E= -685.477625957251     Delta-E=       -0.000000056028 Rises=F Damp=F
 DIIS: error= 8.25D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -685.477625957251     IErMin= 8 ErrMin= 8.25D-07
 ErrMax= 8.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-09 BMatP= 5.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.601D-04 0.134D-02 0.147D-02-0.112D-01-0.181D-01-0.134D-01
 Coeff-Com:  0.941D-01 0.946D+00
 Coeff:     -0.601D-04 0.134D-02 0.147D-02-0.112D-01-0.181D-01-0.134D-01
 Coeff:      0.941D-01 0.946D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.27D-06 MaxDP=1.04D-04 DE=-5.60D-08 OVMax= 2.07D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.01D-07    CP:  9.41D-01  1.16D+00  1.44D+00  1.20D+00  1.33D+00
                    CP:  1.18D+00  1.33D+00  1.24D+00
 E= -685.477625959980     Delta-E=       -0.000000002729 Rises=F Damp=F
 DIIS: error= 2.31D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -685.477625959980     IErMin= 9 ErrMin= 2.31D-07
 ErrMax= 2.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-10 BMatP= 1.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-04 0.159D-03 0.348D-03 0.900D-03-0.321D-02-0.285D-01
 Coeff-Com: -0.215D-01 0.233D+00 0.819D+00
 Coeff:     -0.223D-04 0.159D-03 0.348D-03 0.900D-03-0.321D-02-0.285D-01
 Coeff:     -0.215D-01 0.233D+00 0.819D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=4.80D-07 MaxDP=4.85D-05 DE=-2.73D-09 OVMax= 5.13D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.57D-07    CP:  9.41D-01  1.16D+00  1.44D+00  1.20D+00  1.32D+00
                    CP:  1.18D+00  1.35D+00  1.30D+00  1.20D+00
 E= -685.477625960153     Delta-E=       -0.000000000173 Rises=F Damp=F
 DIIS: error= 8.66D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -685.477625960153     IErMin=10 ErrMin= 8.66D-08
 ErrMax= 8.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-11 BMatP= 1.28D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.478D-05-0.619D-04 0.676D-05 0.152D-02 0.411D-03-0.105D-01
 Coeff-Com: -0.178D-01-0.156D-03 0.311D+00 0.716D+00
 Coeff:     -0.478D-05-0.619D-04 0.676D-05 0.152D-02 0.411D-03-0.105D-01
 Coeff:     -0.178D-01-0.156D-03 0.311D+00 0.716D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.36D-07 MaxDP=1.37D-05 DE=-1.73D-10 OVMax= 1.48D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.34D-08    CP:  9.41D-01  1.16D+00  1.44D+00  1.20D+00  1.32D+00
                    CP:  1.18D+00  1.35D+00  1.31D+00  1.29D+00  1.13D+00
 E= -685.477625960218     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 3.89D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -685.477625960218     IErMin=11 ErrMin= 3.89D-08
 ErrMax= 3.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-12 BMatP= 2.34D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.979D-06-0.474D-04-0.438D-04 0.553D-03 0.591D-03-0.114D-02
 Coeff-Com: -0.490D-02-0.265D-01 0.291D-01 0.280D+00 0.722D+00
 Coeff:      0.979D-06-0.474D-04-0.438D-04 0.553D-03 0.591D-03-0.114D-02
 Coeff:     -0.490D-02-0.265D-01 0.291D-01 0.280D+00 0.722D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=3.56D-08 MaxDP=2.40D-06 DE=-6.48D-11 OVMax= 5.70D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.46D-08    CP:  9.41D-01  1.16D+00  1.44D+00  1.20D+00  1.32D+00
                    CP:  1.18D+00  1.35D+00  1.31D+00  1.31D+00  1.21D+00
                    CP:  1.23D+00
 E= -685.477625960241     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 1.50D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -685.477625960241     IErMin=12 ErrMin= 1.50D-08
 ErrMax= 1.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.37D-13 BMatP= 3.12D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-05-0.869D-05-0.188D-04-0.142D-04 0.168D-03 0.106D-02
 Coeff-Com:  0.712D-03-0.946D-02-0.337D-01 0.280D-02 0.291D+00 0.747D+00
 Coeff:      0.112D-05-0.869D-05-0.188D-04-0.142D-04 0.168D-03 0.106D-02
 Coeff:      0.712D-03-0.946D-02-0.337D-01 0.280D-02 0.291D+00 0.747D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=7.95D-07 DE=-2.34D-11 OVMax= 2.56D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.42D-09    CP:  9.41D-01  1.16D+00  1.44D+00  1.20D+00  1.32D+00
                    CP:  1.18D+00  1.35D+00  1.31D+00  1.32D+00  1.25D+00
                    CP:  1.33D+00  1.17D+00
 E= -685.477625960202     Delta-E=        0.000000000040 Rises=F Damp=F
 DIIS: error= 3.26D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -685.477625960241     IErMin=13 ErrMin= 3.26D-09
 ErrMax= 3.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-14 BMatP= 4.37D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-06 0.190D-05-0.875D-06-0.483D-04-0.504D-05 0.316D-03
 Coeff-Com:  0.522D-03 0.249D-03-0.995D-02-0.245D-01-0.696D-04 0.175D+00
 Coeff-Com:  0.858D+00
 Coeff:      0.169D-06 0.190D-05-0.875D-06-0.483D-04-0.504D-05 0.316D-03
 Coeff:      0.522D-03 0.249D-03-0.995D-02-0.245D-01-0.696D-04 0.175D+00
 Coeff:      0.858D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=4.73D-09 MaxDP=4.90D-07 DE= 3.96D-11 OVMax= 8.45D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -685.477625960     A.U. after   13 cycles
            NFock= 13  Conv=0.47D-08     -V/T= 2.0051
 KE= 6.819705976105D+02 PE=-3.265804172638D+03 EE= 1.070535319533D+03
 Leave Link  502 at Tue Aug 17 15:53:48 2021, MaxMem=  5637144576 cpu:            4222.7 elap:             529.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.66662125D+02

 Leave Link  801 at Tue Aug 17 15:53:48 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.10D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.64D-01 4.49D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 3.80D-02 2.74D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 5.51D-03 1.10D-02.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 7.00D-04 4.04D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 4.29D-05 7.87D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 1.92D-06 1.34D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 8.14D-08 3.14D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 1.92D-09 5.00D-06.
     11 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 6.44D-11 7.72D-07.
      9 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 1.68D-12 1.30D-07.
      4 vectors produced by pass 11 Test12= 2.69D-13 8.33D-09 XBig12= 3.53D-14 1.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.17D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.116187D+03
      2  0.102008D+01  0.103977D+03
      3 -0.298448D+00 -0.170784D+01  0.869500D+02
 Isotropic polarizability for W=    0.088559      102.37 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.300164D+02 -0.126833D+02 -0.165555D+02
      2  -0.240252D+02  0.137128D+02  0.112518D+02
      3  -0.599128D+01 -0.102956D+01  0.530366D+01
      4  -0.211062D+02 -0.977591D+01 -0.129311D+01
      5  -0.734483D+01 -0.290649D+01  0.736825D+01
      6  -0.144751D+00  0.136482D+02 -0.115044D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.185319D+01 -0.442843D+01  0.607561D+01
      2  -0.337407D+01 -0.292784D+00  0.480887D+01
      3  -0.630690D+01 -0.969059D+01  0.158958D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.161338D+01  0.239637D+01  0.104749D+02
      2  -0.921066D+01 -0.114836D+01  0.133595D+02
      3  -0.842287D+01 -0.142493D+02  0.276174D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.245055D+00  0.109884D+01  0.314325D+00
      2   0.109884D+01 -0.418891D+00  0.110922D+01
      3   0.314325D+00  0.110922D+01 -0.382552D+00
 OR G Eigenvalues:    -1.7144    -0.3816     1.5396  Iso=     0.1855
 Eigenvectors:
   (1)  -0.337840   0.760896  -0.553986
   (2)  -0.693182   0.197008   0.693315
   (3)   0.636681   0.618243   0.460883
 w=    0.088559 a.u., Optical Rotation Beta=      0.1855 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       52.20 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.63D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.79D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 5.96D-02 2.23D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 2.58D-03 4.70D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 4.44D-05 6.60D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.06D-06 9.24D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.76D-08 1.11D-05.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 2.46D-10 1.13D-06.
     30 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 3.42D-12 1.23D-07.
     22 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 3.54D-14 1.34D-08.
      1 vectors produced by pass  9 Test12= 4.48D-14 2.78D-09 XBig12= 1.27D-15 2.97D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   263 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 5.65D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 5.65D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.43D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.116187D+03  0.102008D+01 -0.298448D+00
      2   0.102008D+01  0.103977D+03 -0.170784D+01
      3  -0.298448D+00 -0.170784D+01  0.869500D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.185319D+01 -0.442843D+01  0.607561D+01
      2  -0.337407D+01 -0.292784D+00  0.480887D+01
      3  -0.630690D+01 -0.969059D+01  0.158958D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.300164D+02 -0.126833D+02 -0.165555D+02
      2  -0.240252D+02  0.137128D+02  0.112518D+02
      3  -0.599128D+01 -0.102956D+01  0.530366D+01
      4  -0.211062D+02 -0.977591D+01 -0.129311D+01
      5  -0.734483D+01 -0.290649D+01  0.736825D+01
      6  -0.144751D+00  0.136482D+02 -0.115044D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.242058D+01  0.183501D+01 -0.537219D+00  0.114590D+01  0.190766D+01
      2   0.183501D+01  0.197990D+01  0.192894D+00  0.190766D+01 -0.322970D+01
      3  -0.537219D+00  0.192894D+00 -0.522868D+00  0.285596D+00 -0.873129D+00
                 6             7             8             9            10 
      1   0.285596D+00 -0.792216D+00  0.413031D+00 -0.465407D+00  0.282863D+01
      2  -0.873129D+00  0.413031D+00 -0.179573D+01 -0.449415D+00 -0.154353D+01
      3   0.516892D+00 -0.465407D+00 -0.449415D+00  0.824292D+01  0.863917D+00
                11            12            13            14            15 
      1  -0.154353D+01  0.863917D+00 -0.213742D+01 -0.188129D+01 -0.463958D+00
      2  -0.121574D+01 -0.234364D+00 -0.188129D+01  0.167890D+01  0.517754D+00
      3  -0.234364D+00 -0.948412D+00 -0.463958D+00  0.517754D+00  0.116905D+01
                16            17            18            19            20 
      1   0.160326D+01 -0.723582D+00  0.177774D+00  0.116384D+01 -0.192444D+01
      2  -0.723582D+00  0.895639D+00  0.561245D+00 -0.192444D+01 -0.178640D+01
      3   0.177774D+00  0.561245D+00 -0.868127D+01  0.630137D+00  0.145886D+00
                21            22            23            24            25 
      1   0.630137D+00 -0.319105D+01 -0.252576D+01  0.952021D-01  0.148148D+01
      2   0.145886D+00 -0.252576D+01  0.210064D+01  0.642086D+00  0.280779D+00
      3   0.734437D+00  0.952021D-01  0.642086D+00  0.113764D+01  0.194958D+00
                26            27            28            29            30 
      1   0.280779D+00  0.194958D+00  0.348755D+00  0.304281D+01 -0.897178D+00
      2   0.142081D+01  0.648503D+00  0.304281D+01  0.145431D+01  0.570211D-02
      3   0.648503D+00 -0.785675D+01 -0.897178D+00  0.570211D-02 -0.913373D+00
                31            32            33            34            35 
      1   0.338664D+01  0.251743D+01  0.609569D-02 -0.102797D+01  0.179178D+00
      2   0.251743D+01 -0.313943D+01 -0.736902D+00  0.179178D+00 -0.136735D+01
      3   0.609569D-02 -0.736902D+00 -0.673911D+00 -0.432553D+00 -0.832739D-01
                36            37            38            39            40 
      1  -0.432553D+00  0.186645D+01 -0.270151D+01  0.487684D+00 -0.407909D+01
      2  -0.832739D-01 -0.270151D+01 -0.263439D+00 -0.500766D+00 -0.831490D+00
      3   0.839255D+01  0.487684D+00 -0.500766D+00  0.359501D-01 -0.975004D-01
                41            42            43            44            45 
      1  -0.831490D+00 -0.975004D-01  0.278916D+01  0.169630D+00  0.207485D+00
      2  -0.318162D+01  0.915174D+00  0.169630D+00  0.128316D+01 -0.683706D+00
      3   0.915174D+00  0.524295D+00  0.207485D+00 -0.683706D+00 -0.135127D+01
                46            47            48            49            50 
      1  -0.380563D+01  0.407426D+00 -0.109186D+00  0.280735D+01  0.172758D+01
      2   0.407426D+00  0.172099D+01  0.881743D+00  0.172758D+01 -0.165217D+01
      3  -0.109186D+00  0.881743D+00 -0.469706D+00  0.511066D-01 -0.418834D+00
                51            52            53            54            55 
      1   0.511066D-01 -0.127083D+01  0.339793D+00  0.320441D-01  0.422149D+01
      2  -0.418834D+00  0.339793D+00 -0.128615D+01 -0.119432D+00 -0.810611D+00
      3  -0.207859D+01  0.320441D-01 -0.119432D+00  0.864271D+01  0.124351D+01
                56            57            58            59            60 
      1  -0.810611D+00  0.124351D+01 -0.215030D+00 -0.109060D+00 -0.260253D+00
      2   0.174887D+01 -0.117036D+00 -0.109060D+00  0.752490D+01  0.119024D+01
      3  -0.117036D+00  0.913301D+00 -0.260253D+00  0.119024D+01 -0.157676D+00
                61            62            63            64            65 
      1   0.200403D+01 -0.876344D+00  0.604241D-01  0.436615D+00 -0.328779D+00
      2  -0.876344D+00  0.317495D+01  0.143625D+01 -0.328779D+00 -0.337417D+00
      3   0.604241D-01  0.143625D+01  0.271486D+00 -0.881718D+00 -0.223017D-01
                66            67            68            69            70 
      1  -0.881718D+00 -0.200315D+00 -0.329916D+00 -0.456021D-02 -0.176270D+01
      2  -0.223017D-01 -0.329916D+00  0.749058D+00 -0.102553D+01  0.124125D+00
      3   0.171605D+00 -0.456021D-02 -0.102553D+01  0.329736D+00 -0.237170D-01
                71            72            73            74            75 
      1   0.124125D+00 -0.237170D-01 -0.381459D+01  0.316615D+01 -0.949645D+00
      2  -0.194131D+01  0.786137D+00  0.316615D+01  0.768862D+00 -0.142204D+00
      3   0.786137D+00 -0.741404D+01 -0.949645D+00 -0.142204D+00  0.900051D+00
                76            77            78            79            80 
      1   0.621669D+01 -0.407540D+00  0.291929D+00 -0.298227D+01  0.243770D+00
      2  -0.407540D+00  0.346027D+01 -0.879895D+00  0.243770D+00 -0.118408D+01
      3   0.291929D+00 -0.879895D+00  0.697154D+00 -0.121563D+01  0.417198D+00
                81            82            83            84            85 
      1  -0.121563D+01 -0.671201D+00  0.344984D+00  0.995326D+00  0.228021D+00
      2   0.417198D+00  0.344984D+00  0.252058D+00  0.526041D-01  0.240555D+00
      3  -0.212834D+00  0.995326D+00  0.526041D-01 -0.269414D+00  0.840471D-01
                86            87            88            89            90 
      1   0.240555D+00  0.840471D-01  0.208139D+01  0.125898D+00 -0.741430D+00
      2  -0.488784D+00  0.101643D+01  0.125898D+00  0.163293D+01 -0.312603D+00
      3   0.101643D+01 -0.596749D+00 -0.741430D+00 -0.312603D+00  0.761672D+01
                91            92            93            94            95 
      1  -0.252518D+00  0.204801D+00  0.974517D+00  0.281755D+00  0.443331D+00
      2   0.204801D+00  0.425483D+00  0.461791D-01  0.443331D+00 -0.391492D+00
      3   0.974517D+00  0.461791D-01 -0.767614D-01  0.690647D-01  0.854219D+00
                96            97            98            99           100 
      1   0.690647D-01  0.192100D+01 -0.485910D-02  0.286717D+00  0.600033D+01
      2   0.854219D+00 -0.485910D-02  0.171551D+01  0.142990D+00  0.188318D+01
      3  -0.298462D+00  0.286717D+00  0.142990D+00  0.728000D+01 -0.721196D+00
               101           102           103           104           105 
      1   0.188318D+01 -0.721196D+00  0.754272D+00  0.302021D+01  0.213586D+00
      2   0.356774D+01  0.183420D+00  0.302021D+01 -0.274085D+01 -0.898383D+00
      3   0.183420D+00  0.133202D-02  0.213586D+00 -0.898383D+00 -0.834491D+00
               106           107           108           109           110 
      1  -0.189166D+01 -0.393850D+00  0.989110D+00  0.120956D+01 -0.261025D+01
      2  -0.393850D+00 -0.212401D+01  0.463554D+00 -0.261025D+01  0.557224D+00
      3   0.989110D+00  0.463554D+00 -0.103876D+00  0.145660D+01 -0.400939D+00
               111           112           113           114           115 
      1   0.145660D+01 -0.262474D+01 -0.169494D+01  0.220834D-01  0.265194D+01
      2  -0.400939D+00 -0.169494D+01  0.652833D+01  0.122470D+01  0.552527D-01
      3   0.998866D+00  0.220834D-01  0.122470D+01 -0.349660D+00 -0.441103D-01
               116           117           118           119           120 
      1   0.552527D-01 -0.441103D-01  0.840774D+00 -0.586823D+00 -0.996030D+00
      2   0.125785D+01  0.875773D+00 -0.586823D+00 -0.611147D-01 -0.381010D-01
      3   0.875773D+00 -0.784989D+01 -0.996030D+00 -0.381010D-01  0.658113D+00
               121           122           123           124           125 
      1  -0.628976D+00 -0.910223D-01 -0.658069D-01 -0.248030D+01 -0.920328D-01
      2  -0.910223D-01  0.231336D+00 -0.939085D+00 -0.920328D-01 -0.140922D+01
      3  -0.658069D-01 -0.939085D+00 -0.875546D-01  0.892718D+00 -0.447237D+00
               126           127           128           129           130 
      1   0.892718D+00 -0.416535D+01 -0.241698D+01  0.982747D-01 -0.273635D+01
      2  -0.447237D+00 -0.241698D+01 -0.285756D+01 -0.139675D+00 -0.270709D+01
      3  -0.746479D+01  0.982747D-01 -0.139675D+00  0.765481D-01 -0.450024D+00
               131           132           133           134           135 
      1  -0.270709D+01 -0.450024D+00 -0.913053D+00 -0.935192D+00  0.746286D-01
      2  -0.516574D+01 -0.578960D+00 -0.935192D+00 -0.195952D+01  0.965815D+00
      3  -0.578960D+00  0.132529D+01  0.746286D-01  0.965815D+00 -0.532859D+01
               136           137           138           139           140 
      1   0.244688D-01 -0.370456D+00 -0.114334D+01 -0.409122D+00 -0.553011D+00
      2  -0.370456D+00 -0.418885D+00 -0.825681D-01 -0.553011D+00 -0.302006D+00
      3  -0.114334D+01 -0.825681D-01 -0.177931D+00  0.947369D-01 -0.923127D+00
               141           142           143           144           145 
      1   0.947369D-01 -0.227992D+01 -0.349873D+00 -0.975638D+00 -0.561662D+01
      2  -0.923127D+00 -0.349873D+00 -0.156271D+01 -0.113974D+01  0.301864D+01
      3  -0.952687D-01 -0.975638D+00 -0.113974D+01 -0.794520D+01 -0.486209D+00
               146           147           148           149           150 
      1   0.301864D+01 -0.486209D+00  0.222867D+01 -0.176093D+01  0.136200D+00
      2  -0.368658D+01  0.479660D-01 -0.176093D+01  0.254502D+01 -0.261919D+00
      3   0.479660D-01 -0.120334D+01  0.136200D+00 -0.261919D+00  0.732767D+00
               151           152           153           154           155 
      1  -0.119274D+01  0.542313D+00 -0.714216D+00 -0.651999D+01 -0.195545D+01
      2   0.542313D+00 -0.981118D+00  0.736930D+00 -0.195545D+01 -0.206846D+01
      3  -0.714216D+00  0.736930D+00 -0.140693D+00  0.127163D-02  0.259121D-01
               156           157           158           159           160 
      1   0.127163D-02 -0.445009D+01 -0.172646D+01 -0.180311D+00  0.798021D+00
      2   0.259121D-01 -0.172646D+01 -0.243568D+01  0.218484D+00  0.133414D+00
      3  -0.112560D+01 -0.180311D+00  0.218484D+00 -0.749726D+00 -0.932460D+00
               161           162           163           164           165 
      1   0.133414D+00 -0.932460D+00 -0.523380D+00  0.629642D+00  0.215941D+00
      2   0.409279D+00 -0.192404D+00  0.629642D+00 -0.976644D+00 -0.339413D-01
      3  -0.192404D+00 -0.700502D-01  0.215941D+00 -0.339413D-01  0.445323D-01
               166           167           168           169           170 
      1   0.231685D+01  0.521324D+00 -0.103123D+00  0.568213D+00 -0.485110D-01
      2   0.521324D+00  0.817907D+01  0.476367D+00 -0.485110D-01  0.122101D+01
      3  -0.103123D+00  0.476367D+00  0.126446D+01  0.235574D+00  0.912032D+00
               171           172           173           174           175 
      1   0.235574D+00  0.840525D+01  0.580795D+00 -0.131937D+01 -0.303731D+00
      2   0.912032D+00  0.580795D+00  0.869302D+00  0.235704D+00  0.258482D+01
      3   0.132267D+00 -0.131937D+01  0.235704D+00  0.248936D+00  0.293756D+00
               176           177           178           179           180 
      1   0.258482D+01  0.293756D+00 -0.282883D+01 -0.779610D-01  0.165830D+01
      2  -0.445419D+01 -0.518010D+00 -0.779610D-01 -0.617423D+00  0.581225D-03
      3  -0.518010D+00 -0.107130D+01  0.165830D+01  0.581225D-03 -0.571728D+00
               181           182           183           184           185 
      1   0.654130D+00 -0.105562D+01 -0.495760D+00 -0.235436D+01  0.226368D+01
      2  -0.105562D+01  0.572889D+00  0.766120D-01  0.226368D+01 -0.907146D+01
      3  -0.495760D+00  0.766120D-01  0.287464D+00  0.583768D-01 -0.689373D+00
               186           187           188           189           190 
      1   0.583768D-01 -0.115506D+01  0.376914D+00  0.447785D+00  0.407829D-01
      2  -0.689373D+00  0.376914D+00 -0.154279D+01 -0.119047D+01  0.250924D+00
      3  -0.104371D+01  0.447785D+00 -0.119047D+01  0.125206D+00  0.106945D+01
               191           192           193           194           195 
      1   0.250924D+00  0.106945D+01  0.829600D+00  0.222800D+00 -0.867432D-02
      2   0.344167D-01  0.378498D-01  0.222800D+00 -0.764753D+00  0.901139D+00
      3   0.378498D-01 -0.718249D-01 -0.867432D-02  0.901139D+00  0.465670D+00
               196           197           198           199           200 
      1   0.222393D+01 -0.291851D+00  0.914745D+00 -0.544062D+00 -0.245012D+00
      2  -0.291851D+00  0.147876D+01 -0.112991D+01 -0.245012D+00  0.621158D-01
      3   0.914745D+00 -0.112991D+01  0.860818D+01  0.377454D+00 -0.133754D+00
               201           202           203           204           205 
      1   0.377454D+00 -0.372259D+00 -0.319342D+00  0.228658D+00  0.212995D+01
      2  -0.133754D+00 -0.319342D+00 -0.151939D+01  0.861545D+00  0.994360D+00
      3   0.276568D+00  0.228658D+00  0.861545D+00 -0.124840D+01 -0.117316D+01
               206           207           208           209           210 
      1   0.994360D+00 -0.117316D+01  0.292834D+00  0.118510D+01  0.122764D+00
      2   0.297918D+01 -0.250901D+01  0.118510D+01 -0.341916D+00 -0.868209D-01
      3  -0.250901D+01  0.598715D+01  0.122764D+00 -0.868209D-01  0.431525D+00
               211           212           213           214           215 
      1   0.350678D+01 -0.511541D+00 -0.296228D+00  0.325179D+00 -0.184404D+00
      2  -0.511541D+00  0.553973D+01 -0.749979D-01 -0.184404D+00  0.302356D+00
      3  -0.296228D+00 -0.749979D-01  0.112255D+01  0.546060D+00  0.310192D+00
               216 
      1   0.546060D+00
      2   0.310192D+00
      3  -0.308224D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883784D+00  0.146576D+00 -0.455958D+00 -0.126568D+01  0.159376D+01
      2   0.845962D+00  0.199037D+00  0.133987D+01  0.561663D+00  0.134919D+01
      3  -0.747520D+00 -0.816849D-01 -0.640877D+00  0.460056D+01 -0.102157D+01
                 6             7             8             9            10 
      1   0.877202D+00  0.715952D+00  0.338036D+01 -0.824836D+01 -0.709375D+00
      2   0.317136D+00 -0.256981D+01 -0.203593D+00 -0.514497D+01 -0.174270D+01
      3   0.776250D-01 -0.300793D+00 -0.163304D+01 -0.914950D+00 -0.188444D+01
                11            12            13            14            15 
      1  -0.179246D+01 -0.787538D+00 -0.401331D+00 -0.166554D+01 -0.166449D+01
      2  -0.453759D+00  0.160609D+00  0.293803D+00 -0.101626D+01 -0.166112D+01
      3  -0.428228D+01 -0.372954D-01  0.140261D+01  0.220141D+01  0.190745D+01
                16            17            18            19            20 
      1  -0.110078D+01  0.197147D+01 -0.814227D+00 -0.148339D+01  0.375278D-01
      2  -0.301770D+01 -0.113818D+01  0.119781D+02 -0.372432D+00  0.927717D+00
      3  -0.825307D+00  0.161675D+01  0.112628D+01  0.174232D+01 -0.358291D+01
                21            22            23            24            25 
      1   0.665210D+00 -0.942166D+00 -0.134162D+01 -0.615378D+00  0.333793D+00
      2   0.532471D-01  0.528479D+00  0.674228D+00 -0.269998D+00 -0.389652D+01
      3  -0.303753D-01  0.202962D+01 -0.315951D+01 -0.132748D+01  0.146105D+01
                26            27            28            29            30 
      1   0.174695D+01  0.523747D+01 -0.151369D+01  0.565839D+00  0.121571D+01
      2   0.528041D+00 -0.446967D+01 -0.885742D+00  0.100975D+01 -0.241874D+01
      3  -0.644101D+00 -0.382386D+00 -0.515769D+01 -0.759846D+01  0.259689D+00
                31            32            33            34            35 
      1  -0.867192D+00  0.335036D+00 -0.224002D+00 -0.140983D+00  0.312923D+01
      2  -0.646094D+00 -0.743076D+00 -0.276361D+01 -0.515640D+01  0.618936D+00
      3  -0.370076D+01  0.519186D+01  0.173829D+01  0.657898D+00  0.419437D+00
                36            37            38            39            40 
      1   0.402202D+01  0.176567D+01 -0.581684D-01 -0.114737D+01  0.482523D+00
      2   0.135067D+02  0.439948D+00  0.820350D-01  0.105090D+02 -0.308550D+00
      3   0.502282D+00 -0.367085D+01 -0.167118D+01 -0.123618D+01  0.175138D+02
                41            42            43            44            45 
      1   0.756834D+00 -0.473159D+01  0.177492D+01  0.246301D+01 -0.690946D-01
      2  -0.140364D+00  0.491063D+00 -0.660596D+01 -0.133309D+01  0.118301D+01
      3   0.190629D+01  0.138913D-02 -0.426372D+01 -0.394827D+00 -0.293254D+00
                46            47            48            49            50 
      1  -0.138278D-01  0.182947D+00 -0.697044D+00 -0.814512D+00  0.409378D+00
      2   0.987014D+00  0.189677D+00 -0.419774D+01 -0.274319D-01  0.162664D+01
      3   0.664076D+01  0.389707D+01  0.502508D+00 -0.491235D+00 -0.110843D+01
                51            52            53            54            55 
      1  -0.106752D+01 -0.186261D+01  0.281862D+01  0.910436D+01 -0.380641D+01
      2   0.325249D+01 -0.408811D+01 -0.103432D+01 -0.140464D+02 -0.334450D+01
      3  -0.143132D+01  0.147510D+01 -0.196547D+01 -0.352340D+00  0.150711D+02
                56            57            58            59            60 
      1   0.143401D+01 -0.178621D+01  0.197943D+01 -0.342936D+01 -0.613179D+01
      2   0.255309D+01  0.960650D+00  0.690544D+00 -0.190069D+01 -0.513411D+00
      3  -0.479639D+01  0.251286D+01  0.429480D+01  0.836705D+01  0.260513D-01
                61            62            63            64            65 
      1  -0.882000D+00  0.146717D+01 -0.295777D+01  0.107545D+01 -0.456532D-01
      2  -0.441087D+01 -0.976302D-01 -0.101156D+01  0.101091D+01 -0.564362D+00
      3   0.626808D+01  0.186096D+01  0.144334D+01  0.369257D+00 -0.163615D+01
                66            67            68            69            70 
      1  -0.402288D+00  0.729358D-01  0.142071D+01 -0.562401D+00 -0.251621D+00
      2   0.996499D+00 -0.352773D+00  0.394446D+00  0.344553D-01 -0.406750D+01
      3  -0.897450D+00  0.602139D+00  0.126725D+00 -0.646284D+00 -0.251628D+01
                71            72            73            74            75 
      1   0.384684D+01  0.873532D+01 -0.101316D+01 -0.505648D-01  0.143993D+01
      2  -0.335233D+00  0.497191D+01  0.483252D+01  0.132297D+01  0.436986D+01
      3  -0.112998D+01  0.733523D+00  0.100487D+02 -0.166174D+00 -0.352123D+00
                76            77            78            79            80 
      1  -0.196102D+01 -0.518963D+00 -0.256187D+01  0.150227D+01  0.329447D+01
      2   0.115381D+01  0.258881D+01 -0.414184D+01 -0.145104D+01 -0.136474D+01
      3   0.724355D+01  0.165372D+02 -0.184567D+01 -0.180260D+00 -0.538272D+01
                81            82            83            84            85 
      1   0.474661D+00  0.134967D+00  0.338704D+00  0.217467D-01  0.682794D+00
      2   0.252647D+01 -0.200060D+01 -0.108088D+00  0.760465D+00  0.826165D-01
      3   0.582330D+00  0.664334D+00 -0.415350D+00  0.845169D-01  0.159624D+01
                86            87            88            89            90 
      1  -0.446647D+00 -0.165429D+01  0.379549D+00  0.421472D+01 -0.111491D+01
      2  -0.175658D+01  0.102486D+01 -0.351887D+01  0.340235D+00 -0.121786D+02
      3  -0.547312D+00  0.119370D+01  0.284982D+00  0.305563D+01 -0.142773D+00
                91            92            93            94            95 
      1  -0.872863D+00  0.223041D+00  0.485449D+00  0.167909D+00 -0.127862D+01
      2   0.141807D+01  0.299562D+00  0.325712D+00  0.667455D+00  0.146629D+00
      3  -0.311833D+00 -0.100162D+01  0.697461D+00  0.110686D+01  0.229679D+00
                96            97            98            99           100 
      1  -0.711601D+00 -0.385072D+00  0.429183D+01 -0.601760D+01  0.196118D+01
      2  -0.607968D+00 -0.471357D+01  0.311289D+00  0.453405D+01 -0.158788D+01
      3  -0.311855D+00  0.137096D+01 -0.119862D+01 -0.983855D-01  0.946563D+01
               101           102           103           104           105 
      1  -0.151951D+00 -0.226181D+01  0.824032D+00  0.421398D+01 -0.223900D+01
      2  -0.701232D+00  0.532453D+01  0.284074D+00 -0.154197D+01  0.932172D+00
      3  -0.109297D+02 -0.124807D+01 -0.183436D+01  0.130468D+02  0.231308D+01
               106           107           108           109           110 
      1  -0.141506D+01  0.367160D+01  0.159498D+01  0.125538D+01 -0.915604D-01
      2  -0.170589D+01  0.744349D+00 -0.126233D+01  0.178270D+01 -0.498948D+00
      3  -0.444414D+01  0.428536D+01  0.591289D+00  0.225889D+01  0.281716D+01
               111           112           113           114           115 
      1   0.209766D+01 -0.152281D+01  0.732338D+01 -0.111677D+01 -0.114800D+01
      2   0.717951D+00  0.189595D+00  0.297538D+01 -0.249132D+01 -0.415843D+01
      3  -0.743261D+00  0.111641D+02 -0.130969D+02 -0.311177D+01 -0.272300D+01
               116           117           118           119           120 
      1   0.277027D+01 -0.132008D+02 -0.304548D+00  0.153595D+00  0.590322D+00
      2   0.240232D+01 -0.170063D+02 -0.939462D+00 -0.374347D+00  0.185716D+01
      3  -0.368899D+01 -0.237660D+01  0.518309D+00 -0.849232D-01  0.823655D+00
               121           122           123           124           125 
      1  -0.301712D-01 -0.108519D+01 -0.676407D+00  0.293238D+00  0.369308D+01
      2   0.172969D-01 -0.121370D+01  0.100537D-01 -0.410033D+01 -0.478346D+00
      3   0.210469D+01 -0.991080D+00  0.135002D+01  0.214891D+01  0.241281D+01
               126           127           128           129           130 
      1  -0.376008D+01 -0.934704D-01 -0.817614D+00 -0.159231D+01  0.120068D+00
      2  -0.101638D+02 -0.376864D+00 -0.127417D+01  0.574386D+01  0.627481D+00
      3  -0.335809D+00  0.604942D+01 -0.657016D+01  0.621016D+00  0.636916D+01
               131           132           133           134           135 
      1  -0.821507D-01 -0.281583D+01  0.215817D+01  0.504311D+01 -0.138718D+02
      2   0.933722D+00 -0.117510D+01 -0.128431D+01 -0.317217D+01  0.115196D+02
      3  -0.569662D+01 -0.558960D+00  0.781559D+00 -0.115140D+01  0.236658D+01
               136           137           138           139           140 
      1  -0.130208D+01  0.668635D-01 -0.375377D+00  0.744556D+00 -0.127685D+01
      2   0.202119D+01  0.323839D-01  0.910791D+00  0.230840D+00  0.968842D+00
      3  -0.695833D+00 -0.132649D+01  0.171136D+01  0.710036D+00  0.102455D+01
               141           142           143           144           145 
      1  -0.635210D+00 -0.593691D+00  0.325129D+01 -0.886917D+01  0.300125D+01
      2  -0.173756D+00 -0.361538D+01  0.118596D+01  0.116684D+02  0.304408D+01
      3  -0.138634D+01  0.333839D+01 -0.185994D+01  0.740259D+00 -0.153846D+02
               146           147           148           149           150 
      1  -0.140618D+01  0.392651D+01 -0.100662D+01  0.129427D+01 -0.186123D+01
      2  -0.176643D+01  0.291939D+01 -0.122660D+01  0.108575D+01 -0.143507D+01
      3   0.190344D+01 -0.185096D+01  0.483678D+01 -0.259262D+01  0.765057D-01
               151           152           153           154           155 
      1   0.200795D+01 -0.984454D+00  0.608885D+00  0.142001D+01  0.841718D+00
      2   0.649033D+00 -0.129536D+01  0.563268D+00 -0.249885D+01 -0.118703D+01
      3  -0.398639D+01  0.100594D+00 -0.927580D+00 -0.975810D+01 -0.947354D+01
               156           157           158           159           160 
      1  -0.420940D+00  0.112696D+01  0.826510D+00 -0.400919D+00 -0.332521D+00
      2   0.411074D+01 -0.168024D+01 -0.165082D+01  0.327807D+01  0.176397D+01
      3   0.412377D-01 -0.690343D+01 -0.128583D+02  0.947387D+00  0.633497D+00
               161           162           163           164           165 
      1   0.926077D+00  0.352041D+00 -0.464491D+00  0.519934D+00  0.375180D+00
      2   0.765523D+00  0.449630D-01  0.484238D+00 -0.196818D+00 -0.338715D+00
      3   0.240281D+01 -0.547280D+00 -0.483101D+01  0.409270D+01  0.898696D+00
               166           167           168           169           170 
      1   0.405080D+00 -0.287308D+01 -0.400143D+01 -0.444450D+00 -0.129266D+01
      2  -0.352154D+00  0.678620D+00  0.184198D+01 -0.922621D+00  0.120746D+01
      3   0.739236D+01 -0.176287D+02 -0.166881D+01  0.224618D+01 -0.330365D+01
               171           172           173           174           175 
      1  -0.489407D+00 -0.942123D+00 -0.813360D+00 -0.173171D+01  0.113168D+01
      2   0.989614D-01 -0.349533D+01 -0.666847D+00  0.807118D+01  0.739196D+00
      3  -0.907670D+00 -0.828361D+01 -0.124158D+02  0.112613D+01 -0.793838D+01
               176           177           178           179           180 
      1   0.184220D+01 -0.348551D+01  0.209180D+01  0.385933D+01  0.269410D+00
      2  -0.132109D+01 -0.200335D+01  0.125066D+01 -0.132448D+00 -0.355065D+01
      3   0.200200D+02  0.737943D+00  0.139007D+01  0.370404D+01 -0.170347D+01
               181           182           183           184           185 
      1  -0.148346D+01  0.505809D+00  0.715950D+00  0.877699D+00 -0.502854D+01
      2  -0.130753D+01  0.512007D+00  0.142137D+01  0.429622D+00 -0.180410D+01
      3   0.220912D+01 -0.948949D+00  0.659919D+00  0.100500D+01  0.195281D+02
               186           187           188           189           190 
      1  -0.457460D+01  0.939596D+00 -0.153642D+01 -0.320102D+00  0.197884D+01
      2  -0.279672D+01  0.383364D+00 -0.279478D+01  0.247459D+00  0.350400D+01
      3   0.177681D+01  0.187487D+01  0.313443D+01  0.223455D+01  0.187316D-01
               191           192           193           194           195 
      1  -0.113651D+00 -0.625505D-01 -0.239803D+00  0.100108D+01  0.618553D+00
      2  -0.180794D+00  0.145753D+00 -0.876537D+00  0.242118D+01  0.115405D+01
      3  -0.129961D+01 -0.143701D+01 -0.981657D+00  0.129999D+01 -0.187961D+01
               196           197           198           199           200 
      1   0.643391D+00  0.284142D+01  0.126124D+02  0.843593D+00  0.760723D-01
      2  -0.292943D+01 -0.233914D+01  0.205274D+02 -0.204462D+01 -0.142744D+00
      3  -0.246713D+01 -0.340947D+01  0.234633D+01 -0.345498D+00  0.714601D-01
               201           202           203           204           205 
      1   0.939007D+00  0.585206D+00  0.233370D+01 -0.331561D+01 -0.308781D+01
      2  -0.688248D+00 -0.786152D+00 -0.214574D+01  0.299403D+01 -0.288680D-01
      3  -0.979101D+00  0.466293D+00 -0.194026D+01  0.130130D+01 -0.326913D+01
               206           207           208           209           210 
      1  -0.386944D+01  0.157844D+02 -0.317237D+00  0.248520D+00 -0.751570D+00
      2   0.573982D+01 -0.134206D+02  0.776181D-01  0.133860D+00  0.421046D+00
      3   0.407925D+01 -0.291696D+01 -0.449702D+01  0.350830D+01  0.367797D+00
               211           212           213           214           215 
      1  -0.130032D-02 -0.347082D+01  0.755029D-01 -0.684607D+00  0.993420D+00
      2  -0.239935D+00 -0.609069D+00  0.470291D+01  0.971573D-01  0.136563D+01
      3   0.550868D+01 -0.283288D+02  0.571648D+00  0.104460D+01 -0.130986D+01
               216 
      1   0.832432D-01
      2  -0.966524D+00
      3  -0.767317D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.155362D+01 -0.688314D+01 -0.201802D+00 -0.393534D+01  0.955717D+01
      2   0.187280D+01  0.948659D+01 -0.532774D+00  0.528520D+01 -0.192330D+02
      3  -0.342642D+01 -0.260345D+01  0.734576D+00 -0.134985D+01  0.967580D+01
      4  -0.342165D+01 -0.103828D+01 -0.393798D+00 -0.768873D+01  0.774054D+01
      5   0.120179D+01 -0.964949D+00  0.190184D+00 -0.271772D+01  0.100486D+01
      6   0.106335D+01  0.132905D+01  0.831895D+00  0.239486D+01 -0.499399D+01
                 6             7             8             9            10 
      1   0.149907D+01  0.130373D+01  0.357249D+01  0.714862D+01 -0.163138D+02
      2  -0.250079D+00 -0.123789D+00 -0.934246D+01  0.461361D+01  0.725543D+01
      3  -0.124899D+01 -0.117995D+01  0.576997D+01 -0.117622D+02  0.905839D+01
      4   0.165386D+01 -0.186676D+01  0.273981D+01 -0.271166D+00  0.875026D+01
      5   0.733122D+00  0.177661D+01  0.845520D+00 -0.113149D+02 -0.562602D+01
      6  -0.697358D+01 -0.355755D+00 -0.915615D+00  0.212580D+02  0.771946D-01
                11            12            13            14            15 
      1   0.375225D+01 -0.777356D-01  0.815579D+01  0.570429D+01  0.921039D+00
      2  -0.586495D+00  0.277953D+01 -0.497931D+01 -0.932644D+00 -0.161190D+01
      3  -0.316576D+01 -0.270179D+01 -0.317648D+01 -0.477165D+01  0.690861D+00
      4  -0.314384D+01  0.591404D+00  0.547193D+01 -0.510144D+01 -0.122532D+01
      5   0.520293D+00 -0.339360D+01  0.236791D+01  0.173065D+00 -0.325636D+01
      6  -0.198759D+01  0.207179D+01 -0.109022D+01  0.118054D+00  0.784429D+00
                16            17            18            19            20 
      1  -0.930390D+01  0.171893D+01  0.634526D+01 -0.571940D+01  0.977705D+00
      2   0.271847D+01 -0.172784D+01  0.643652D+01  0.457551D+00 -0.593727D+01
      3   0.658543D+01  0.891348D-02 -0.127818D+02  0.526185D+01  0.495957D+01
      4   0.525985D+01 -0.289958D+01 -0.287406D+01 -0.510693D+01 -0.776214D+01
      5  -0.355993D+00 -0.265202D+01  0.311778D+02  0.222769D+01  0.126383D+01
      6   0.141731D+00  0.403660D+00  0.133770D+01 -0.684857D+00  0.125776D+01
                21            22            23            24            25 
      1  -0.104709D+01 -0.668582D+01 -0.391572D+01 -0.149985D+01  0.237714D+01
      2  -0.179735D+01  0.117999D+01  0.314631D+01 -0.216486D+00  0.606039D+00
      3   0.284444D+01  0.550583D+01  0.769402D+00  0.171633D+01 -0.298317D+01
      4   0.143463D+00 -0.923606D+01 -0.229366D+01 -0.377005D+00  0.358372D+01
      5  -0.370531D+01  0.170925D+01  0.130285D+00 -0.107851D+01  0.994774D+00
      6  -0.190434D+01 -0.130505D+00  0.234965D+01 -0.117606D+01  0.241407D+00
                26            27            28            29            30 
      1   0.530672D+00  0.541238D+01 -0.847527D+01  0.908790D+01 -0.336492D+01
      2   0.116145D+01  0.873665D+01  0.320709D+01 -0.734392D+01  0.199365D+00
      3  -0.169213D+01 -0.141490D+02  0.526818D+01 -0.174399D+01  0.316556D+01
      4   0.323182D+01  0.167562D+01 -0.171426D+01 -0.708954D+01  0.243981D+01
      5   0.928401D+00 -0.108120D+02 -0.346925D+01  0.134883D+01 -0.820032D+01
      6   0.321904D+01 -0.127686D+02  0.377137D+01 -0.833372D+00  0.440485D+00
                31            32            33            34            35 
      1   0.642019D+01  0.328141D+01 -0.353468D+01 -0.149095D+01 -0.228641D+00
      2  -0.420343D+01 -0.316241D+01  0.267589D-01 -0.186595D+01  0.163840D+01
      3  -0.221676D+01 -0.119004D+00  0.350792D+01  0.335690D+01 -0.140976D+01
      4  -0.611656D+01 -0.130018D+02 -0.109694D+01  0.113571D+01 -0.166652D+01
      5  -0.273607D-01 -0.369388D+00 -0.452828D+01 -0.250453D+01  0.981739D-02
      6  -0.423304D+00  0.151746D+01 -0.183819D+01  0.584366D+00  0.141698D+00
                36            37            38            39            40 
      1   0.529825D+01  0.194915D+01 -0.196021D+01 -0.120928D+01  0.466328D+00
      2   0.609366D+01  0.368537D+00  0.177327D+01 -0.366428D+00  0.341579D+00
      3  -0.113919D+02 -0.231768D+01  0.186944D+00  0.157570D+01 -0.807907D+00
      4   0.340644D+00 -0.237944D+01  0.153605D+02 -0.164618D+01  0.133725D+02
      5   0.238867D+02  0.159982D+01 -0.288930D+00  0.175817D+02 -0.146955D+01
      6  -0.100499D+02 -0.159330D+01  0.176455D+01  0.213573D+01 -0.433706D+00
                41            42            43            44            45 
      1  -0.141600D+02  0.399419D+01  0.853452D+00  0.271092D+01 -0.614654D+01
      2   0.193240D+02 -0.883135D+00 -0.181509D+01 -0.337634D+01 -0.100229D+01
      3  -0.516398D+01 -0.311105D+01  0.961638D+00  0.665420D+00  0.714883D+01
      4   0.262127D+01 -0.383684D+00 -0.644357D+01 -0.273341D+00 -0.134893D+01
      5  -0.852574D+00  0.176122D+01  0.482777D+01 -0.206992D+00  0.209034D+01
      6  -0.346594D+01  0.524196D+01 -0.845090D+00  0.643361D+01  0.132733D+01
                46            47            48            49            50 
      1  -0.955463D+01  0.399184D+01  0.432596D+01 -0.851089D+01 -0.247118D+01
      2   0.533058D+01 -0.824925D+01 -0.133886D+01  0.555579D+00 -0.465010D+01
      3   0.422404D+01  0.425741D+01 -0.298711D+01  0.795531D+01  0.712128D+01
      4   0.301498D+01 -0.180526D+02 -0.145237D+01 -0.160074D+02 -0.327490D+01
      5   0.301789D-01 -0.105885D+01 -0.938039D+01  0.208682D+01  0.123737D+00
      6  -0.776030D+00 -0.262501D+01 -0.169530D+01  0.523899D+00  0.126187D+01
                51            52            53            54            55 
      1  -0.840284D+00  0.414512D+01 -0.922453D+00  0.849374D+01 -0.368485D+01
      2  -0.130722D+01  0.121715D+01  0.648593D+01  0.820972D+01 -0.289071D+01
      3   0.214750D+01 -0.536226D+01 -0.556348D+01 -0.167035D+02  0.657556D+01
      4   0.115694D+01  0.190561D+01  0.225178D+01  0.181786D+01  0.206837D+02
      5   0.457824D+01 -0.197081D+01 -0.405779D-02 -0.266007D+02 -0.209870D+01
      6  -0.932523D+00  0.437800D+00  0.142057D+00 -0.231111D+02  0.625616D+01
                56            57            58            59            60 
      1   0.513910D+00 -0.261564D+01  0.299427D+01 -0.304331D+02 -0.543549D+01
      2   0.464767D+01  0.545456D+00 -0.163540D+01  0.463904D+02  0.419115D+01
      3  -0.516158D+01  0.207019D+01 -0.135887D+01 -0.159573D+02  0.124434D+01
      4  -0.455184D+01  0.504365D+01  0.324320D+01 -0.132354D+02 -0.348115D+01
      5   0.893487D+00  0.342590D+01  0.144485D+01 -0.244558D+01 -0.165457D+01
      6  -0.160135D+01  0.236370D+01 -0.258279D+01  0.997755D+01  0.116680D+02
                61            62            63            64            65 
      1  -0.193891D+01 -0.931210D+01 -0.792438D+01  0.114696D+00  0.624606D+00
      2  -0.143786D+01  0.152187D+02  0.360489D+01 -0.318405D+01 -0.863714D+00
      3   0.337677D+01 -0.590665D+01  0.431950D+01  0.306936D+01  0.239107D+00
      4   0.101767D+02 -0.906885D+01 -0.186828D+01  0.833528D+00  0.209057D+01
      5   0.340292D+01 -0.335017D+01 -0.230954D+01  0.122521D+01 -0.100980D+01
      6  -0.381491D+00  0.131255D+02  0.621102D+01 -0.291987D+01 -0.535702D+00
                66            67            68            69            70 
      1   0.172755D+01  0.563322D+00 -0.411371D+01  0.252959D+01  0.195745D+01
      2  -0.607844D+00 -0.784264D+00  0.293334D+01 -0.345369D+01 -0.590406D+00
      3  -0.111971D+01  0.220942D+00  0.118037D+01  0.924100D+00 -0.136705D+01
      4  -0.248747D+01  0.197395D+01 -0.129454D+01  0.125896D+01 -0.346387D+01
      5   0.607302D+01  0.664609D-02  0.110684D+01 -0.312493D-01  0.384386D+01
      6   0.938770D+00 -0.953409D-01 -0.351076D+01  0.633278D+01 -0.310330D+00
                71            72            73            74            75 
      1   0.484856D+01 -0.151689D+02  0.234063D+02 -0.197423D+02  0.386128D+01
      2  -0.463625D+01 -0.119986D+02 -0.126909D+02  0.101010D+02 -0.495844D+01
      3  -0.212305D+00  0.271675D+02 -0.107153D+02  0.964128D+01  0.109715D+01
      4   0.293675D+01 -0.475913D+00 -0.256594D+02  0.541133D+01 -0.371382D+00
      5  -0.104538D+01  0.993863D+01  0.851476D+01 -0.952895D-02  0.789802D+01
      6   0.600948D+01 -0.214217D+02 -0.239547D+01  0.859236D+00 -0.256826D+01
                76            77            78            79            80 
      1  -0.384238D+02 -0.574441D+01 -0.728079D-01  0.166261D+02 -0.178255D+00
      2   0.218106D+02  0.750958D+01  0.115107D+01 -0.105909D+02  0.163550D+00
      3   0.166132D+02 -0.176516D+01 -0.107826D+01 -0.603518D+01  0.147050D-01
      4   0.576715D+01 -0.196585D+02  0.450482D+01 -0.346473D+01  0.714286D+01
      5  -0.267680D+01  0.489147D+01 -0.637700D+01  0.131483D+02 -0.356622D+01
      6   0.270062D+00 -0.181456D+01  0.530480D+01 -0.244617D+01  0.403818D+01
                81            82            83            84            85 
      1   0.313055D+01  0.275682D+01 -0.103400D+01 -0.428212D+01 -0.568106D+00
      2  -0.662149D+01 -0.409291D+01  0.495574D+00  0.250273D+01  0.206737D+00
      3   0.349094D+01  0.133609D+01  0.538424D+00  0.177939D+01  0.361369D+00
      4  -0.382158D+01 -0.996093D+00  0.105103D+01  0.206357D+00  0.138429D+01
      5   0.547438D+01 -0.430622D+01 -0.253945D+00  0.630859D+01 -0.535353D+00
      6  -0.105678D+01  0.230568D+00  0.333854D-01  0.206350D+00 -0.119928D+01
                86            87            88            89            90 
      1  -0.356646D+01  0.328081D+00 -0.683046D+01  0.144392D+00 -0.132086D+02
      2   0.294039D+00  0.850936D+00  0.570603D+01  0.569248D+00 -0.147402D+02
      3   0.327242D+01 -0.117902D+01  0.112443D+01 -0.713639D+00  0.279488D+02
      4   0.173090D+01 -0.414702D+01  0.441808D-01 -0.511344D+01  0.132633D+01
      5  -0.418245D+01  0.228745D+01  0.701047D+01  0.164527D+01 -0.288761D+02
      6  -0.156219D+00  0.752064D+01 -0.525129D-01  0.447441D+01  0.108009D+01
                91            92            93            94            95 
      1   0.204655D+00 -0.363489D+00  0.204445D+01 -0.392536D+00 -0.195493D+01
      2  -0.258579D+01  0.621315D+00 -0.515370D+00  0.559286D+00 -0.869253D+00
      3   0.238113D+01 -0.257825D+00 -0.152908D+01 -0.166750D+00  0.282418D+01
      4  -0.222637D+00  0.231340D+01  0.145446D+01  0.285750D+01  0.200033D-01
      5   0.167738D+01  0.150391D+00  0.538024D+01 -0.203970D+00  0.116745D+01
      6   0.163598D+01 -0.216362D+00 -0.664997D+00  0.282030D+00  0.133174D+01
                96            97            98            99           100 
      1  -0.415093D+00  0.224300D+01 -0.204118D+01 -0.154786D+02  0.233449D+02
      2   0.224170D+01 -0.169111D+01  0.302780D+01 -0.145387D+02 -0.941276D+01
      3  -0.182661D+01 -0.551895D+00 -0.986623D+00  0.300173D+02 -0.139321D+02
      4   0.145541D+01  0.249226D+01  0.269300D+01  0.106070D+00  0.202873D+02
      5  -0.746761D+00  0.466373D+01  0.218309D+00  0.107537D+02 -0.338835D+01
      6   0.589361D+01  0.392976D+00  0.424655D+01  0.125186D+02 -0.230274D+01
               101           102           103           104           105 
      1  -0.494009D+01 -0.170414D+01 -0.892034D+00  0.153180D+02  0.363739D+01
      2   0.125885D+02  0.315161D+01  0.563055D+01 -0.157732D+02 -0.365330D+01
      3  -0.764839D+01 -0.144747D+01 -0.473851D+01  0.455235D+00  0.159076D-01
      4   0.215643D+02 -0.152211D+01  0.168958D+02 -0.405116D+00 -0.223740D+01
      5  -0.215742D+00  0.938056D+01 -0.489625D+00 -0.393228D+01  0.133117D+01
      6   0.226317D+00  0.383035D+01  0.354127D+00 -0.537352D+01  0.504980D+01
               106           107           108           109           110 
      1  -0.551431D+01  0.508944D+01 -0.202658D+00 -0.844489D+01 -0.905227D+01
      2   0.241474D+01 -0.842334D+01 -0.284773D+01  0.679550D+01  0.364432D+01
      3   0.309957D+01  0.333390D+01  0.305038D+01  0.164938D+01  0.540795D+01
      4  -0.603323D+01 -0.732710D+01  0.377043D+01 -0.113781D+02  0.163693D+01
      5   0.779237D+01  0.246962D+01 -0.199559D+01  0.999564D+01 -0.251078D+01
      6   0.465276D+01  0.518325D+01 -0.298889D+01 -0.630899D+01  0.368499D+01
               111           112           113           114           115 
      1   0.139905D+01 -0.236667D+02  0.105560D+02  0.171498D+01  0.175907D+02
      2  -0.416501D+01  0.181678D+02 -0.268858D+02 -0.589696D+01 -0.754427D+01
      3   0.276596D+01  0.549887D+01  0.163298D+02  0.418198D+01 -0.100464D+02
      4  -0.490751D+01 -0.577951D+01  0.309710D+02  0.497340D+01 -0.149567D+01
      5  -0.200640D+01  0.126542D+01  0.503659D+01 -0.465793D+01 -0.639082D+00
      6  -0.358685D+01  0.436098D+00 -0.330964D+01  0.477825D+00  0.566395D+00
               116           117           118           119           120 
      1   0.125304D+01  0.149695D+02  0.246990D+01 -0.163516D+01 -0.193989D+01
      2  -0.456809D+01  0.613336D+01 -0.366910D+01  0.912010D+00  0.136291D+01
      3   0.331504D+01 -0.211029D+02  0.119920D+01  0.723150D+00  0.576983D+00
      4   0.711461D+01  0.473627D+01 -0.221191D+01  0.243576D+01  0.916223D+00
      5   0.459630D+01 -0.364293D+02 -0.272188D+01 -0.170215D+00  0.774772D+01
      6  -0.196509D+01  0.167220D+02  0.103067D+01  0.816094D-01 -0.676001D+00
               121           122           123           124           125 
      1  -0.142664D+01 -0.366725D+01 -0.654102D+00 -0.480372D+01 -0.109567D+01
      2   0.467369D+00  0.112381D+01  0.136116D+01  0.576625D+01  0.758211D+00
      3   0.959272D+00  0.254344D+01 -0.707059D+00 -0.962527D+00  0.337460D+00
      4   0.272567D+01  0.435192D+00 -0.197538D+01  0.305027D+01 -0.264716D+01
      5   0.305084D-02 -0.271610D+01  0.622240D+00  0.674194D+01 -0.109224D+01
      6  -0.593592D+00  0.154296D+01  0.676931D+01 -0.115562D+01  0.481934D+01
               126           127           128           129           130 
      1  -0.154454D+02  0.179716D+02  0.117600D+01  0.218991D+00  0.584755D+01
      2  -0.130382D+02 -0.134371D+01  0.100297D+02  0.955507D+00  0.588482D+01
      3   0.284836D+02 -0.166279D+02 -0.112057D+02 -0.117450D+01 -0.117324D+02
      4  -0.124246D+01  0.235578D+02  0.276540D+02  0.286095D-01  0.263244D+02
      5  -0.193681D+02 -0.172725D+01 -0.262032D+00  0.781880D+01  0.528232D+00
      6   0.976894D+01 -0.129815D+00 -0.519769D+00  0.372097D+01  0.123335D+01
               131           132           133           134           135 
      1  -0.689365D+01 -0.118948D+01 -0.190243D-01 -0.427782D+01  0.563708D+01
      2   0.268918D+02  0.201753D+01  0.954751D+00  0.420997D+01 -0.229324D+01
      3  -0.199982D+02 -0.828054D+00 -0.935727D+00  0.678511D-01 -0.334385D+01
      4   0.290018D+02  0.227025D+01  0.489012D+01  0.676290D+01 -0.223735D+01
      5   0.181226D+01 -0.125143D+01  0.408476D+01 -0.281498D+01  0.196905D+02
      6   0.193972D+01  0.311613D+01  0.461997D+00 -0.901061D+00  0.238563D+02
               136           137           138           139           140 
      1   0.237483D+00  0.568632D+00  0.336578D+01 -0.374609D+00 -0.295518D+01
      2  -0.266997D+01  0.577129D-02 -0.144689D+01  0.110805D+01  0.128658D+01
      3   0.243249D+01 -0.574404D+00 -0.191889D+01 -0.733437D+00  0.166860D+01
      4   0.129055D+01  0.386670D+01  0.284039D+01  0.393996D+01  0.146746D+01
      5   0.366086D+01  0.686003D+00  0.719683D+01 -0.366785D+00  0.237782D+01
      6   0.321844D+01 -0.150512D+00  0.467834D+00  0.129746D+00  0.331321D+01
               141           142           143           144           145 
      1  -0.177176D+01  0.281479D+01 -0.402793D+01 -0.164936D+02  0.106889D+02
      2   0.328318D+01 -0.326652D+01  0.240949D+01 -0.131675D+02  0.497246D+01
      3  -0.151143D+01  0.451731D+00  0.161844D+01  0.296611D+02 -0.156614D+02
      4   0.189659D+01  0.542545D+01  0.520708D+01  0.291379D+01 -0.313986D+02
      5  -0.601532D+00  0.767249D+01  0.324282D+01  0.219716D+02 -0.399336D-01
      6   0.668280D+01  0.290987D+01  0.760566D+01  0.222047D+02 -0.305328D+01
               146           147           148           149           150 
      1   0.891392D+00  0.188159D+01 -0.804691D+00 -0.233650D+01  0.395393D+00
      2  -0.135357D+02  0.599398D+00 -0.656163D+01  0.114605D+02 -0.155530D+01
      3   0.126443D+02 -0.248099D+01  0.736632D+01 -0.912404D+01  0.115990D+01
      4   0.230976D+02 -0.275542D+01  0.154609D+02 -0.129098D+02  0.151688D+01
      5   0.335526D+00  0.353498D+01  0.299410D+00  0.472066D+00 -0.195044D+01
      6   0.674327D+00 -0.597341D+01  0.916011D+00 -0.120009D+01  0.322084D+01
               151           152           153           154           155 
      1   0.173108D+01  0.131501D+01 -0.664409D+00  0.451151D+02  0.144381D+02
      2   0.957661D+00 -0.394011D+01  0.916405D+00 -0.247078D+02 -0.834179D+01
      3  -0.268874D+01  0.262510D+01 -0.251996D+00 -0.204073D+02 -0.609634D+01
      4  -0.646649D+01  0.447733D+01 -0.451351D+01  0.115980D+02  0.123023D+02
      5   0.388638D+01 -0.237171D+01  0.963607D+00  0.609236D+00  0.184396D+00
      6  -0.407806D+01  0.486409D+01 -0.999978D+00  0.120006D+01  0.101034D+01
               156           157           158           159           160 
      1  -0.101138D+01  0.301638D+02  0.109639D+02  0.138450D+00 -0.544389D+01
      2  -0.129019D+00 -0.172469D+02 -0.468178D+01 -0.779264D+00  0.317657D+01
      3   0.114040D+01 -0.129169D+02 -0.628212D+01  0.640814D+00  0.226732D+01
      4  -0.989591D-01  0.124497D+02  0.135961D+02 -0.109216D+01 -0.950514D+00
      5   0.677504D+01  0.121845D+01 -0.120519D+01  0.492655D+01  0.746821D+01
      6   0.233191D-01  0.121472D+01  0.948689D+00  0.225330D+00  0.586789D+00
               161           162           163           164           165 
      1  -0.113488D+01  0.413253D+01 -0.122906D+01  0.531701D+01  0.692453D+00
      2   0.550239D+00 -0.398699D+01  0.252892D+01 -0.610687D+01 -0.800707D+00
      3   0.584640D+00 -0.145541D+00 -0.129986D+01  0.789864D+00  0.108254D+00
      4  -0.221833D+01  0.153915D+01 -0.103331D+01  0.586996D+00  0.575107D+00
      5   0.183207D+01  0.201877D+00  0.468262D+00 -0.261451D+00 -0.285970D+00
      6   0.143023D+01 -0.481452D+00  0.108477D+01 -0.411702D+00 -0.204461D+00
               166           167           168           169           170 
      1   0.503509D+01 -0.254192D+02 -0.151207D+01  0.144627D+01 -0.431845D+01
      2  -0.101665D+01  0.419522D+02  0.293308D+01 -0.955199D+00  0.591118D+01
      3  -0.401843D+01 -0.165329D+02 -0.142101D+01 -0.491070D+00 -0.159273D+01
      4   0.753170D+01  0.228776D+02  0.142179D+01  0.125537D+01  0.349405D+01
      5  -0.780647D-01  0.243706D+01  0.343696D+01  0.152486D+01  0.245584D+01
      6  -0.106176D+00  0.309362D+01  0.561795D+01  0.825661D+00  0.634002D+01
               171           172           173           174           175 
      1  -0.350745D+01  0.711926D+02  0.135105D+01 -0.475275D+01  0.104187D+01
      2   0.305782D+01 -0.410452D+02  0.910968D-01  0.639518D+01 -0.232856D+01
      3   0.449625D+00 -0.301474D+02 -0.144215D+01 -0.164243D+01  0.128669D+01
      4   0.246718D+01 -0.502600D+01  0.130310D+02  0.257665D+01  0.196997D+02
      5   0.195331D+00 -0.109219D+02  0.145412D+01  0.145027D+02  0.951510D+00
      6   0.127681D+01  0.298045D+01 -0.180778D+01  0.108446D+01 -0.124445D+01
               176           177           178           179           180 
      1   0.113554D+02  0.283234D+01 -0.195166D+02  0.243117D+00  0.692724D+01
      2  -0.188234D+01  0.404158D+00  0.119495D+02 -0.670389D+00 -0.106861D+02
      3  -0.947305D+01 -0.323649D+01  0.756710D+01  0.427272D+00  0.375887D+01
      4  -0.264164D+02 -0.368105D+01  0.159757D+01 -0.499085D+01 -0.175078D+01
      5  -0.395463D+01 -0.362749D+01  0.186860D+02  0.802846D-01 -0.739042D+01
      6   0.138041D+01  0.704567D+01 -0.227941D+01  0.365008D+01 -0.103304D+00
               181           182           183           184           185 
      1   0.307653D+01 -0.598762D+01 -0.259199D+01 -0.589740D+01 -0.174567D+02
      2   0.272613D+01  0.130694D+01  0.854528D+00 -0.386447D+01  0.416962D+02
      3  -0.580265D+01  0.468068D+01  0.173746D+01  0.976187D+01 -0.242395D+02
      4  -0.818156D+01  0.100754D+02  0.137623D+01  0.186362D+02 -0.464205D+02
      5  -0.232199D+01  0.375752D+00  0.251111D+01  0.811757D-01 -0.279206D+01
      6   0.154918D+01 -0.386966D+00 -0.924764D+00  0.204369D+00  0.156950D+01
               186           187           188           189           190 
      1  -0.155186D+01 -0.473668D+01 -0.283910D+01 -0.343365D+01  0.991251D+00
      2   0.369569D+01  0.114838D+01  0.618213D+01  0.270774D+01 -0.382380D+01
      3  -0.214383D+01  0.358831D+01 -0.334303D+01  0.725904D+00  0.283255D+01
      4  -0.315866D+01  0.419194D+01 -0.780597D+01 -0.609302D+01  0.606322D+00
      5  -0.551490D+01  0.343975D+01 -0.614012D+01  0.760335D+00  0.611710D+01
      6   0.639340D+01 -0.195789D+01  0.722298D+01  0.155697D+01 -0.191979D+01
               191           192           193           194           195 
      1   0.107123D+01  0.722096D+01  0.483665D+01 -0.405310D+01  0.878317D+00
      2  -0.102883D+01 -0.350481D+01 -0.375929D+01  0.321539D+01 -0.242161D+01
      3  -0.423984D-01 -0.371615D+01 -0.107736D+01  0.837711D+00  0.154329D+01
      4   0.151055D+01 -0.208520D+01  0.139540D+01 -0.427116D+01  0.425803D+01
      5  -0.687243D+00  0.594721D+01  0.191654D-01  0.455436D+01  0.255401D+01
      6  -0.561889D+00  0.482180D+00  0.526807D+00 -0.171723D+01  0.417433D+01
               196           197           198           199           200 
      1   0.944117D+01  0.326295D+01 -0.186474D+02  0.178762D+01  0.261268D+01
      2  -0.712069D+01 -0.192883D+01 -0.131040D+02 -0.135172D+01 -0.155721D+01
      3  -0.232048D+01 -0.133412D+01  0.317514D+02 -0.435899D+00 -0.105547D+01
      4  -0.466899D+01  0.672889D+01 -0.605955D+01  0.235799D+01  0.164536D+01
      5   0.976808D+01 -0.613155D+01  0.432321D+02 -0.181741D+01 -0.591679D+00
      6  -0.256979D+01  0.789290D+01 -0.196208D+02 -0.193546D+01  0.888102D+00
               201           202           203           204           205 
      1  -0.335443D+01  0.738240D+00 -0.502089D+01  0.235930D+01 -0.476334D+01
      2   0.147421D+01  0.762780D+00  0.759163D+01 -0.410378D+01  0.165991D+01
      3   0.188022D+01 -0.150102D+01 -0.257073D+01  0.174448D+01  0.310342D+01
      4  -0.189004D+01  0.305109D+01  0.526592D+01 -0.354160D+01 -0.950584D+01
      5   0.663481D+00 -0.122072D+01 -0.309423D+01  0.477105D+01  0.649504D+01
      6  -0.185579D+01 -0.146211D+01 -0.547083D+01  0.761443D+01  0.533656D+01
               206           207           208           209           210 
      1   0.747466D+01 -0.103703D+02  0.147653D+01  0.658407D+01  0.101717D+01
      2  -0.905309D+01  0.182464D+01  0.495580D+00 -0.283281D+01 -0.457951D+00
      3   0.157843D+01  0.854562D+01 -0.197211D+01 -0.375127D+01 -0.559219D+00
      4  -0.119388D+02  0.992585D+01  0.676947D+01 -0.184524D-01 -0.289738D+00
      5   0.966241D+01 -0.233352D+02  0.812519D+00 -0.635339D+00  0.985919D+00
      6   0.143344D+02 -0.282581D+02 -0.785778D-01 -0.171648D+00  0.145634D+01
               211           212           213           214           215 
      1   0.246354D+02 -0.189222D+01 -0.161209D+01  0.203078D+01 -0.649145D+00
      2  -0.142203D+02  0.189076D+01  0.169916D+01 -0.107470D+01  0.518945D+00
      3  -0.104151D+02  0.145678D-02 -0.870737D-01 -0.956086D+00  0.130200D+00
      4  -0.116605D+01  0.335755D+02 -0.267996D+00 -0.649095D+00  0.116909D+01
      5  -0.219594D+01  0.256615D+00  0.827443D+01  0.442897D+01  0.240885D+01
      6   0.576949D+00 -0.103948D+01 -0.126372D+01  0.313882D+00  0.218163D+01
               216 
      1   0.123006D+01
      2  -0.227658D+01
      3   0.104652D+01
      4   0.193740D+01
      5  -0.220353D+01
      6   0.342967D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 17:31:21 2021, MaxMem=  5637144576 cpu:           46759.3 elap:            5852.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.95829 -18.95824 -18.95085 -18.95059 -18.94855
 Alpha  occ. eigenvalues --  -18.91572 -10.15905 -10.11176 -10.11159 -10.11140
 Alpha  occ. eigenvalues --  -10.11003 -10.08753  -1.18947  -1.15188  -1.14045
 Alpha  occ. eigenvalues --   -1.12031  -1.11875  -1.10233  -0.90653  -0.88467
 Alpha  occ. eigenvalues --   -0.79727  -0.76958  -0.73908  -0.71585  -0.67410
 Alpha  occ. eigenvalues --   -0.66182  -0.63771  -0.62047  -0.61250  -0.60162
 Alpha  occ. eigenvalues --   -0.58428  -0.55910  -0.55387  -0.53105  -0.51869
 Alpha  occ. eigenvalues --   -0.50291  -0.49131  -0.48692  -0.47650  -0.46703
 Alpha  occ. eigenvalues --   -0.45117  -0.42865  -0.41566  -0.40149  -0.39385
 Alpha  occ. eigenvalues --   -0.38714  -0.37118  -0.36112
 Alpha virt. eigenvalues --    0.02436   0.03120   0.03674   0.04235   0.05562
 Alpha virt. eigenvalues --    0.05674   0.05957   0.06391   0.06599   0.08124
 Alpha virt. eigenvalues --    0.08666   0.09136   0.10192   0.11087   0.11720
 Alpha virt. eigenvalues --    0.11904   0.12393   0.12944   0.13470   0.13922
 Alpha virt. eigenvalues --    0.14523   0.15077   0.15404   0.15638   0.15987
 Alpha virt. eigenvalues --    0.16639   0.16719   0.16997   0.18119   0.18425
 Alpha virt. eigenvalues --    0.18576   0.19155   0.19328   0.19735   0.21023
 Alpha virt. eigenvalues --    0.21518   0.21693   0.22595   0.22837   0.23195
 Alpha virt. eigenvalues --    0.24653   0.24859   0.25290   0.25505   0.26922
 Alpha virt. eigenvalues --    0.27281   0.27758   0.28144   0.28571   0.28803
 Alpha virt. eigenvalues --    0.28985   0.29095   0.29553   0.30259   0.30990
 Alpha virt. eigenvalues --    0.31320   0.32112   0.32302   0.32657   0.32994
 Alpha virt. eigenvalues --    0.33297   0.33730   0.34099   0.34405   0.35093
 Alpha virt. eigenvalues --    0.35705   0.35821   0.35894   0.36968   0.37703
 Alpha virt. eigenvalues --    0.38041   0.38454   0.39056   0.39651   0.40354
 Alpha virt. eigenvalues --    0.41610   0.41994   0.42300   0.42823   0.43497
 Alpha virt. eigenvalues --    0.44167   0.44694   0.45135   0.45609   0.45920
 Alpha virt. eigenvalues --    0.47271   0.47745   0.48260   0.48448   0.49060
 Alpha virt. eigenvalues --    0.49703   0.49875   0.50209   0.52022   0.52367
 Alpha virt. eigenvalues --    0.54375   0.54547   0.55698   0.56216   0.57550
 Alpha virt. eigenvalues --    0.57666   0.58231   0.59036   0.59387   0.59978
 Alpha virt. eigenvalues --    0.60372   0.61263   0.62020   0.63415   0.63887
 Alpha virt. eigenvalues --    0.64581   0.65615   0.65926   0.66204   0.67423
 Alpha virt. eigenvalues --    0.67884   0.68512   0.70056   0.70342   0.70658
 Alpha virt. eigenvalues --    0.71074   0.71526   0.72711   0.73718   0.74511
 Alpha virt. eigenvalues --    0.75310   0.75774   0.76731   0.76881   0.77368
 Alpha virt. eigenvalues --    0.77809   0.78475   0.79485   0.80167   0.80977
 Alpha virt. eigenvalues --    0.82247   0.82675   0.83116   0.84243   0.85292
 Alpha virt. eigenvalues --    0.86003   0.86106   0.86942   0.87500   0.88735
 Alpha virt. eigenvalues --    0.89800   0.90002   0.92192   0.93387   0.94031
 Alpha virt. eigenvalues --    0.94104   0.96103   0.97132   0.97694   0.98640
 Alpha virt. eigenvalues --    0.99457   1.00205   1.02390   1.02896   1.04068
 Alpha virt. eigenvalues --    1.04950   1.06606   1.08088   1.10476   1.11677
 Alpha virt. eigenvalues --    1.12293   1.12367   1.13235   1.15053   1.15704
 Alpha virt. eigenvalues --    1.16324   1.18052   1.18455   1.18827   1.21015
 Alpha virt. eigenvalues --    1.21301   1.21906   1.22718   1.24308   1.26136
 Alpha virt. eigenvalues --    1.27317   1.28063   1.28929   1.29339   1.30895
 Alpha virt. eigenvalues --    1.31579   1.32518   1.35480   1.36799   1.37446
 Alpha virt. eigenvalues --    1.39686   1.40889   1.42083   1.43563   1.46748
 Alpha virt. eigenvalues --    1.47872   1.49389   1.49696   1.50869   1.51883
 Alpha virt. eigenvalues --    1.53504   1.55514   1.55710   1.57954   1.58622
 Alpha virt. eigenvalues --    1.60150   1.62345   1.63848   1.64330   1.65568
 Alpha virt. eigenvalues --    1.66496   1.67564   1.69827   1.70089   1.71306
 Alpha virt. eigenvalues --    1.72490   1.73688   1.74704   1.76902   1.77582
 Alpha virt. eigenvalues --    1.80166   1.81962   1.82247   1.84853   1.85160
 Alpha virt. eigenvalues --    1.86422   1.88260   1.89630   1.90709   1.91921
 Alpha virt. eigenvalues --    1.92488   1.94052   1.95931   1.96888   1.98027
 Alpha virt. eigenvalues --    1.98616   2.00368   2.01360   2.03096   2.04556
 Alpha virt. eigenvalues --    2.05336   2.05593   2.07744   2.08731   2.09583
 Alpha virt. eigenvalues --    2.11317   2.12455   2.13657   2.15089   2.16245
 Alpha virt. eigenvalues --    2.17488   2.19457   2.19803   2.23426   2.25466
 Alpha virt. eigenvalues --    2.25801   2.26314   2.28086   2.29832   2.30853
 Alpha virt. eigenvalues --    2.32211   2.33032   2.35058   2.35724   2.37771
 Alpha virt. eigenvalues --    2.39086   2.40686   2.42073   2.45773   2.46160
 Alpha virt. eigenvalues --    2.47529   2.49746   2.52541   2.54023   2.54430
 Alpha virt. eigenvalues --    2.57672   2.59979   2.60520   2.61421   2.63284
 Alpha virt. eigenvalues --    2.66142   2.67910   2.68541   2.71067   2.73996
 Alpha virt. eigenvalues --    2.74675   2.76906   2.78196   2.79956   2.81543
 Alpha virt. eigenvalues --    2.84094   2.88435   2.89408   2.93669   2.94263
 Alpha virt. eigenvalues --    3.04382   3.09925   3.14335   3.17652   3.21569
 Alpha virt. eigenvalues --    3.26242   3.30401   3.38191   3.44642   3.45875
 Alpha virt. eigenvalues --    3.47374   3.48916   3.49633   3.50445   3.52026
 Alpha virt. eigenvalues --    3.52467   3.53472   3.54004   3.54747   3.55538
 Alpha virt. eigenvalues --    3.56255   3.57614   3.58084   3.59560   3.61973
 Alpha virt. eigenvalues --    3.63811   3.65885   3.69652   3.74009   3.74668
 Alpha virt. eigenvalues --    3.79692   3.84834   3.89807   3.91014   3.99153
 Alpha virt. eigenvalues --    4.04623   4.06511   4.09687   4.12644   4.17250
 Alpha virt. eigenvalues --    4.36804
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.672342  -1.190125  -1.101157   0.089967  -0.064399   0.174110
     2  C   -1.190125   8.300842  -1.002042   0.453782   0.186282  -1.152638
     3  C   -1.101157  -1.002042  10.187401  -3.053353   0.277480   0.549831
     4  C    0.089967   0.453782  -3.053353   9.864369  -0.720918  -0.716414
     5  O   -0.064399   0.186282   0.277480  -0.720918   8.952431   0.115316
     6  C    0.174110  -1.152638   0.549831  -0.716414   0.115316   6.402666
     7  O   -0.508035   0.219246   0.098053   0.087213  -0.000586  -0.029341
     8  H   -0.738574   0.481045  -0.270608   0.090914   0.000391  -0.264142
     9  O    0.139076  -0.549911   0.122738  -0.043749  -0.014372   0.200933
    10  H   -0.363325  -0.490470   0.074307  -0.077856  -0.025534   0.243325
    11  H    0.128384  -0.013109  -0.705008   0.130518  -0.037940  -0.077781
    12  O    0.216935   0.001215  -0.526636   0.185602   0.002353   0.000676
    13  C   -0.309847   0.142954  -0.149763  -0.306837   0.100973  -0.114853
    14  H   -0.054274   0.145540   0.572945  -1.192460   0.018021  -0.019793
    15  O   -0.034609   0.054336  -0.018955   0.005723  -0.072472   0.096026
    16  H   -0.027022  -0.178635   0.154037   0.025458  -0.068716  -0.194501
    17  H    0.127163  -0.128688   0.001912  -0.002013  -0.002442   0.018182
    18  H   -0.012033   0.108429  -0.018996   0.017061   0.000545  -0.113258
    19  H   -0.081501  -0.004118   0.107418  -0.052393   0.000925  -0.001949
    20  O    0.010825   0.009450   0.003217  -0.073802   0.054183  -0.014735
    21  H    0.003537  -0.032147   0.014376   0.540582  -0.120509   0.012609
    22  H    0.030260   0.029142  -0.140616  -0.032436  -0.034837  -0.029038
    23  H    0.031406  -0.085913   0.010549   0.020604  -0.013694  -0.084632
    24  H   -0.011657   0.001330   0.011130  -0.020771  -0.003632   0.001569
               7          8          9         10         11         12
     1  C   -0.508035  -0.738574   0.139076  -0.363325   0.128384   0.216935
     2  C    0.219246   0.481045  -0.549911  -0.490470  -0.013109   0.001215
     3  C    0.098053  -0.270608   0.122738   0.074307  -0.705008  -0.526636
     4  C    0.087213   0.090914  -0.043749  -0.077856   0.130518   0.185602
     5  O   -0.000586   0.000391  -0.014372  -0.025534  -0.037940   0.002353
     6  C   -0.029341  -0.264142   0.200933   0.243325  -0.077781   0.000676
     7  O    8.551607  -0.085690  -0.010193   0.016843  -0.027233  -0.024274
     8  H   -0.085690   2.032315  -0.055054   0.088024   0.080373   0.019122
     9  O   -0.010193  -0.055054   8.548492  -0.096157  -0.003800  -0.003702
    10  H    0.016843   0.088024  -0.096157   1.938834   0.044697   0.004664
    11  H   -0.027233   0.080373  -0.003800   0.044697   2.019796  -0.053577
    12  O   -0.024274   0.019122  -0.003702   0.004664  -0.053577   8.452090
    13  C   -0.006452   0.082923  -0.002606   0.047410  -0.092224   0.008226
    14  H   -0.011471   0.006417  -0.015636  -0.000038   0.085873  -0.062411
    15  O    0.000211   0.000224   0.002620  -0.010096   0.001204   0.000553
    16  H   -0.000538   0.000067   0.015361   0.097805   0.000463  -0.007359
    17  H    0.279514  -0.081338   0.016863  -0.012674   0.003882   0.005958
    18  H    0.004912   0.010000   0.281728  -0.052153  -0.002711   0.000040
    19  H    0.020707  -0.002986   0.000216  -0.000090  -0.045326   0.302748
    20  O    0.000546  -0.002301  -0.000039   0.001498  -0.010833  -0.001676
    21  H    0.000420   0.002599   0.000873  -0.004190   0.020051  -0.004145
    22  H   -0.002939   0.003491  -0.001337   0.006554  -0.020422   0.011444
    23  H   -0.000929  -0.001479   0.008202   0.004275  -0.000388  -0.000272
    24  H   -0.000715   0.002022  -0.000051   0.000242   0.002713   0.024622
              13         14         15         16         17         18
     1  C   -0.309847  -0.054274  -0.034609  -0.027022   0.127163  -0.012033
     2  C    0.142954   0.145540   0.054336  -0.178635  -0.128688   0.108429
     3  C   -0.149763   0.572945  -0.018955   0.154037   0.001912  -0.018996
     4  C   -0.306837  -1.192460   0.005723   0.025458  -0.002013   0.017061
     5  O    0.100973   0.018021  -0.072472  -0.068716  -0.002442   0.000545
     6  C   -0.114853  -0.019793   0.096026  -0.194501   0.018182  -0.113258
     7  O   -0.006452  -0.011471   0.000211  -0.000538   0.279514   0.004912
     8  H    0.082923   0.006417   0.000224   0.000067  -0.081338   0.010000
     9  O   -0.002606  -0.015636   0.002620   0.015361   0.016863   0.281728
    10  H    0.047410  -0.000038  -0.010096   0.097805  -0.012674  -0.052153
    11  H   -0.092224   0.085873   0.001204   0.000463   0.003882  -0.002711
    12  O    0.008226  -0.062411   0.000553  -0.007359   0.005958   0.000040
    13  C    5.674382  -0.254424  -0.000159   0.028632  -0.005010   0.000799
    14  H   -0.254424   2.458298  -0.001789  -0.053595  -0.000515   0.002040
    15  O   -0.000159  -0.001789   8.305406  -0.190752  -0.000039   0.022436
    16  H    0.028632  -0.053595  -0.190752   1.740014  -0.001095  -0.014825
    17  H   -0.005010  -0.000515  -0.000039  -0.001095   0.628423  -0.002680
    18  H    0.000799   0.002040   0.022436  -0.014825  -0.002680   0.622868
    19  H    0.005154   0.005290  -0.000163   0.000019  -0.002709  -0.000062
    20  O    0.049889  -0.006703   0.000596   0.000883   0.000054  -0.000015
    21  H   -0.193064  -0.139512  -0.001084   0.001317   0.000012  -0.000149
    22  H    0.296243   0.108518  -0.001611  -0.000415   0.000165   0.000317
    23  H   -0.003129  -0.001511   0.316769   0.040399   0.000111   0.000256
    24  H   -0.046946   0.020357   0.000148  -0.001283  -0.000017  -0.000027
              19         20         21         22         23         24
     1  C   -0.081501   0.010825   0.003537   0.030260   0.031406  -0.011657
     2  C   -0.004118   0.009450  -0.032147   0.029142  -0.085913   0.001330
     3  C    0.107418   0.003217   0.014376  -0.140616   0.010549   0.011130
     4  C   -0.052393  -0.073802   0.540582  -0.032436   0.020604  -0.020771
     5  O    0.000925   0.054183  -0.120509  -0.034837  -0.013694  -0.003632
     6  C   -0.001949  -0.014735   0.012609  -0.029038  -0.084632   0.001569
     7  O    0.020707   0.000546   0.000420  -0.002939  -0.000929  -0.000715
     8  H   -0.002986  -0.002301   0.002599   0.003491  -0.001479   0.002022
     9  O    0.000216  -0.000039   0.000873  -0.001337   0.008202  -0.000051
    10  H   -0.000090   0.001498  -0.004190   0.006554   0.004275   0.000242
    11  H   -0.045326  -0.010833   0.020051  -0.020422  -0.000388   0.002713
    12  O    0.302748  -0.001676  -0.004145   0.011444  -0.000272   0.024622
    13  C    0.005154   0.049889  -0.193064   0.296243  -0.003129  -0.046946
    14  H    0.005290  -0.006703  -0.139512   0.108518  -0.001511   0.020357
    15  O   -0.000163   0.000596  -0.001084  -0.001611   0.316769   0.000148
    16  H    0.000019   0.000883   0.001317  -0.000415   0.040399  -0.001283
    17  H   -0.002709   0.000054   0.000012   0.000165   0.000111  -0.000017
    18  H   -0.000062  -0.000015  -0.000149   0.000317   0.000256  -0.000027
    19  H    0.596401  -0.000235   0.000954  -0.001282   0.000191  -0.001947
    20  O   -0.000235   8.358842  -0.170587  -0.032668  -0.000400   0.267816
    21  H    0.000954  -0.170587   1.743261  -0.397166   0.002053   0.020005
    22  H   -0.001282  -0.032668  -0.397166   1.498974   0.000006  -0.037942
    23  H    0.000191  -0.000400   0.002053   0.000006   0.649125  -0.000061
    24  H   -0.001947   0.267816   0.020005  -0.037942  -0.000061   0.634639
 Mulliken charges:
               1
     1  C    0.872553
     2  C    0.694204
     3  C    0.801740
     4  C    0.781208
     5  O   -0.528848
     6  C    0.997833
     7  O   -0.570877
     8  H   -0.397755
     9  O   -0.540493
    10  H   -0.435894
    11  H   -0.427602
    12  O   -0.552195
    13  C    1.047729
    14  H   -0.609168
    15  O   -0.474523
    16  H   -0.365719
    17  H    0.156980
    18  H    0.145477
    19  H    0.154738
    20  O   -0.443804
    21  H   -0.300097
    22  H   -0.252406
    23  H    0.108461
    24  H    0.138458
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.474798
     2  C    0.258310
     3  C    0.374138
     4  C    0.172040
     5  O   -0.528848
     6  C    0.632114
     7  O   -0.413897
     9  O   -0.395016
    12  O   -0.397457
    13  C    0.495226
    15  O   -0.366062
    20  O   -0.305346
 Electronic spatial extent (au):  <R**2>=           2205.8013
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8793    Y=              0.9169    Z=              1.3515  Tot=              3.3102
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.6225   YY=            -72.5812   ZZ=            -70.1898
   XY=              2.6420   XZ=             -0.1037   YZ=             -3.0418
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1580   YY=              1.8833   ZZ=              4.2747
   XY=              2.6420   XZ=             -0.1037   YZ=             -3.0418
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -69.0649  YYY=             23.2907  ZZZ=              2.3161  XYY=              5.1257
  XXY=             12.3121  XXZ=             18.4965  XZZ=             -5.7706  YZZ=             -7.1398
  YYZ=              3.5744  XYZ=              6.5420
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1775.3967 YYYY=           -874.9145 ZZZZ=           -146.6277 XXXY=             71.8487
 XXXZ=              3.8606 YYYX=            -17.2246 YYYZ=            -30.3692 ZZZX=             -4.4061
 ZZZY=             -5.9639 XXYY=           -398.8309 XXZZ=           -300.9017 YYZZ=           -170.9640
 XXYZ=            -17.0354 YYXZ=            -12.7097 ZZXY=             17.0255
 N-N= 8.278206295350D+02 E-N=-3.265804172162D+03  KE= 6.819705976105D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 17:31:22 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13522586D+00 3.98649781D-01 5.37424069D-01
 Polarizability= 1.05978568D+02 1.14144168D+00 9.45385685D+01
                -2.54044739D-01-1.48328991D+00 7.80443162D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1483    0.1492        0.5114    0.5100
 2     -0.1483   -0.1492        0.8535    0.8539       -6.1062   -6.1049
 3     -0.5114   -0.5100       14.6212   14.6184       -0.8541   -0.8539
 4     -0.8535   -0.8539       -0.0000    0.0000       -0.5095   -0.5100
 5     -8.5151   -8.5135        0.5095    0.5100        0.1489    0.1492
 6      0.8541    0.8539       -0.1489   -0.1492        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4477   -0.4477        1.5301    1.5301
 2     -2.5618   -2.5618       -0.0000    0.0000        1.5301    1.5301
 3     -2.5618   -2.5618       -0.4477   -0.4477        0.0000    0.0000
 4     -0.4477   -0.4477        2.5618    2.5618      -18.3147  -18.3147
 5     -1.5301   -1.5301       43.8552   43.8552       -2.5618   -2.5618
 6    -25.5405  -25.5405        1.5301    1.5301        0.4477    0.4477
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0311    0.0000       -0.6281   -0.5969       -2.0517   -2.0402
 2      0.5883    0.5969       -3.3928   -3.4157       24.4438   24.4196
 3      2.0260    2.0402      -58.4804  -58.4737        3.4139    3.4157
 4      3.4293    3.4157        0.0157    0.0000        2.0317    2.0402
 5     34.0615   34.0540       -2.0356   -2.0402       -0.6070   -0.5969
 6     -3.4197   -3.4157        0.5980    0.5969        0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0173    0.0000       -0.1892   -0.2313        7.7822    7.8025
 2      0.2422    0.2313       -4.8732   -4.8817       -3.1000   -3.1208
 3     -7.7611   -7.8025        6.8740    6.8855        4.7612    4.8817
 4      4.8823    4.8817        0.0019    0.0000       -7.7902   -7.8025
 5     -3.7702   -3.7647        7.8183    7.8025       -0.1945   -0.2313
 6     -4.8774   -4.8817        0.1849    0.2313       -0.0373    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.0353  -18.0339        9.5414    9.6017      -20.9943  -20.9930
 2    -17.1428  -17.1442       11.6656   11.6537      -20.9497  -20.9930
 3    -17.1362  -17.1442        9.5740    9.6017      -27.7773  -27.8073
 4     -2.0599   -2.0520       -0.8970   -0.8897       -0.9598   -0.9301
 5     -6.7898   -6.8143        8.7795    8.7502        0.7479    0.8897
 6     -7.7953   -7.8202        6.8532    6.8143        2.1152    2.0520
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6732   -2.7070    0.0003    0.0006    0.0010    6.4737
 Low frequencies ---   67.8553  106.8782  118.5166
 Diagonal vibrational polarizability:
       65.1609274      43.8493010      55.7031364
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     67.8544               106.8782               118.5160
 Red. masses --      7.1080                 4.8062                 5.5030
 Frc consts  --      0.0193                 0.0323                 0.0455
 IR Inten    --      0.6705                 1.1044                 3.0340
 RamAct Fr= 1--      0.0291                 0.0366                 0.0071
  Dep-P Fr= 1--      0.7498                 0.7499                 0.6019
  Dep-U Fr= 1--      0.8570                 0.8571                 0.7514
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0042                 0.0052                 0.0009
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--      0.0026                 0.0759                -0.0114
 Delta2 Fr= 1--      0.0153                 0.0426                -0.0161
 Raman1 Fr= 1--       0.116                  0.147                  0.029
 ROA1   Fr= 1--       0.736                  8.647                 -1.611
 CID1   Fr= 1--       6.331                 59.011                -56.436
 Raman2 Fr= 1--       0.050                  0.063                  0.011
 ROA2   Fr= 1--      -0.061                  1.480                 -0.145
 CID2   Fr= 1--      -1.218                 23.560                -13.518
 Raman3 Fr= 1--       0.100                  0.126                  0.021
 ROA3   Fr= 1--       0.736                  8.647                 -1.611
 CID3   Fr= 1--       7.387                 68.850                -75.103
 RC180  Fr= 1--       0.714                  0.714                  0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.08     0.01   0.02   0.05
     2   6     0.03  -0.01   0.09     0.02   0.01  -0.00    -0.03   0.01  -0.08
     3   6     0.03   0.01  -0.14    -0.02  -0.06   0.02     0.03  -0.03  -0.07
     4   6     0.02  -0.02  -0.09    -0.00  -0.00  -0.11    -0.02  -0.03  -0.09
     5   8    -0.00  -0.02  -0.15     0.01  -0.05  -0.17    -0.01  -0.00  -0.01
     6   6    -0.02   0.03  -0.07    -0.05  -0.02   0.00    -0.03  -0.04   0.04
     7   8     0.03  -0.00  -0.00     0.04   0.02  -0.21     0.05  -0.06   0.27
     8   1    -0.13  -0.02  -0.02     0.07  -0.13  -0.09    -0.03   0.18   0.06
     9   8    -0.06   0.02   0.31    -0.01   0.02   0.08     0.05   0.02  -0.26
    10   1     0.20  -0.09   0.10     0.09   0.04   0.00    -0.17   0.05  -0.08
    11   1     0.13   0.09  -0.14    -0.13  -0.19   0.02     0.12  -0.03  -0.07
    12   8    -0.02  -0.01  -0.30     0.02   0.01   0.25    -0.02  -0.01  -0.15
    13   6    -0.05  -0.03   0.08    -0.01  -0.06  -0.15    -0.02  -0.06  -0.12
    14   1     0.11  -0.03  -0.08    -0.01   0.10  -0.11    -0.08  -0.03  -0.09
    15   8    -0.00  -0.00  -0.13    -0.01   0.02   0.19    -0.01   0.01   0.21
    16   1    -0.07   0.14  -0.07    -0.22  -0.07   0.00    -0.10  -0.15   0.04
    17   1    -0.01  -0.03   0.12     0.02  -0.02  -0.20     0.10   0.07   0.22
    18   1    -0.01  -0.02   0.30    -0.03   0.07   0.18    -0.03   0.10  -0.19
    19   1     0.01  -0.00  -0.27    -0.09  -0.01   0.21     0.03  -0.02  -0.05
    20   8     0.06   0.05   0.36     0.01   0.13   0.10    -0.00   0.14   0.15
    21   1     0.02  -0.01  -0.01     0.06  -0.00  -0.39     0.07  -0.00  -0.36
    22   1    -0.26  -0.14   0.09    -0.11  -0.33  -0.12    -0.14  -0.33  -0.09
    23   1     0.08  -0.13  -0.16     0.16   0.04   0.17     0.01   0.17   0.23
    24   1    -0.04   0.04   0.28    -0.06   0.11   0.27    -0.14   0.12   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    164.5387               209.8577               231.1682
 Red. masses --      4.6463                 3.1841                 3.0105
 Frc consts  --      0.0741                 0.0826                 0.0948
 IR Inten    --      6.7103                 3.2488                14.5537
 RamAct Fr= 1--      0.0955                 0.1715                 0.1652
  Dep-P Fr= 1--      0.3621                 0.6562                 0.7495
  Dep-U Fr= 1--      0.5317                 0.7924                 0.8568
 Alpha2 Fr= 1--      0.0008                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0085                 0.0227                 0.0236
 AlphaG Fr= 1--     -0.0007                -0.0018                 0.0001
 Gamma2 Fr= 1--      0.0114                -0.0357                 0.0169
 Delta2 Fr= 1--     -0.0333                 0.0203                 0.0396
 Raman1 Fr= 1--       0.382                  0.686                  0.661
 ROA1   Fr= 1--       0.023                 -2.782                  2.889
 CID1   Fr= 1--       0.061                 -4.056                  4.372
 Raman2 Fr= 1--       0.102                  0.272                  0.283
 ROA2   Fr= 1--       0.539                 -1.020                  0.089
 CID2   Fr= 1--       5.312                 -3.753                  0.313
 Raman3 Fr= 1--       0.203                  0.544                  0.566
 ROA3   Fr= 1--       0.023                 -2.782                  2.889
 CID3   Fr= 1--       0.115                 -5.118                  5.102
 RC180  Fr= 1--       0.063                  0.585                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.02     0.01   0.00  -0.05     0.04  -0.05   0.01
     2   6    -0.00  -0.01   0.06     0.02   0.00  -0.04     0.03  -0.03  -0.02
     3   6     0.03  -0.07   0.04    -0.04  -0.07  -0.05     0.03  -0.00   0.03
     4   6    -0.03  -0.10   0.08     0.01  -0.06  -0.01    -0.00  -0.01   0.04
     5   8    -0.04  -0.03   0.21    -0.01  -0.10  -0.12    -0.02  -0.02  -0.01
     6   6     0.01  -0.00   0.05    -0.03  -0.02  -0.04    -0.04  -0.05  -0.03
     7   8     0.13   0.00  -0.08     0.12  -0.02   0.07    -0.16  -0.09  -0.03
     8   1     0.05  -0.14   0.02    -0.02   0.07  -0.04     0.08  -0.07   0.01
     9   8     0.03   0.02   0.03    -0.01  -0.02   0.01     0.10   0.25   0.00
    10   1    -0.02   0.00   0.06     0.06   0.00  -0.04     0.02  -0.06  -0.02
    11   1     0.06  -0.02   0.04    -0.09  -0.09  -0.05     0.05   0.04   0.03
    12   8    -0.00  -0.07  -0.03     0.01  -0.09   0.03     0.05  -0.04  -0.04
    13   6     0.05  -0.03  -0.08     0.03   0.17   0.17     0.01   0.03   0.04
    14   1    -0.16  -0.15   0.07     0.15  -0.10  -0.01     0.03   0.00   0.04
    15   8    -0.09  -0.00  -0.18    -0.08   0.06   0.05     0.01  -0.07   0.02
    16   1     0.19   0.07   0.05    -0.10  -0.05  -0.04    -0.05  -0.07  -0.03
    17   1     0.18   0.08  -0.16     0.15   0.11   0.09    -0.33  -0.42   0.21
    18   1     0.04  -0.02  -0.12     0.02  -0.04   0.04    -0.18   0.55   0.27
    19   1    -0.05  -0.06  -0.11     0.05  -0.09   0.09     0.13  -0.02  -0.00
    20   8    -0.10   0.29  -0.02    -0.05   0.11  -0.06    -0.04   0.06  -0.02
    21   1     0.21   0.03  -0.30     0.15   0.10   0.52     0.05   0.02   0.09
    22   1     0.09  -0.25  -0.07     0.03   0.54   0.14     0.04   0.08   0.04
    23   1    -0.34  -0.03  -0.15    -0.01   0.08   0.05     0.14  -0.13  -0.01
    24   1    -0.33   0.25   0.05    -0.10   0.12  -0.20    -0.09   0.06  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    248.9065               283.5834               296.9521
 Red. masses --      2.5540                 2.0853                 3.8093
 Frc consts  --      0.0932                 0.0988                 0.1979
 IR Inten    --      0.9732                24.0543                 4.7254
 RamAct Fr= 1--      0.4908                 0.4278                 0.5508
  Dep-P Fr= 1--      0.6647                 0.6218                 0.6899
  Dep-U Fr= 1--      0.7986                 0.7668                 0.8165
 Alpha2 Fr= 1--      0.0007                 0.0010                 0.0006
 Beta2  Fr= 1--      0.0653                 0.0547                 0.0750
 AlphaG Fr= 1--     -0.0004                 0.0006                 0.0012
 Gamma2 Fr= 1--     -0.0934                 0.0790                -0.0451
 Delta2 Fr= 1--     -0.1318                 0.1046                 0.0442
 Raman1 Fr= 1--       1.963                  1.711                  2.203
 ROA1   Fr= 1--     -13.187                 10.934                 -2.914
 CID1   Fr= 1--      -6.718                  6.390                 -1.322
 Raman2 Fr= 1--       0.784                  0.656                  0.899
 ROA2   Fr= 1--      -1.188                  1.060                 -1.436
 CID2   Fr= 1--      -1.515                  1.616                 -1.596
 Raman3 Fr= 1--       1.568                  1.312                  1.799
 ROA3   Fr= 1--     -13.187                 10.934                 -2.914
 CID3   Fr= 1--      -8.412                  8.333                 -1.620
 RC180  Fr= 1--       0.597                  0.534                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.05    -0.01   0.08  -0.04    -0.01  -0.01  -0.18
     2   6    -0.08   0.01   0.05    -0.00   0.03  -0.03    -0.02  -0.01  -0.13
     3   6    -0.02  -0.03   0.01    -0.01   0.02  -0.02    -0.01  -0.03  -0.18
     4   6     0.00   0.00  -0.00    -0.05   0.01   0.00     0.01  -0.04  -0.08
     5   8    -0.01   0.02  -0.03    -0.02   0.03   0.04    -0.03   0.12   0.18
     6   6    -0.04   0.00   0.02     0.02   0.02  -0.01     0.00  -0.04  -0.03
     7   8     0.17   0.02  -0.01    -0.01   0.06   0.01     0.09  -0.10   0.06
     8   1    -0.04  -0.09   0.04    -0.02   0.11  -0.03    -0.08   0.13  -0.17
     9   8    -0.02   0.09  -0.06    -0.04  -0.07  -0.01    -0.09   0.07   0.08
    10   1    -0.16   0.01   0.04     0.02   0.05  -0.03     0.13   0.02  -0.12
    11   1     0.01  -0.05   0.02    -0.05   0.03  -0.02    -0.16  -0.13  -0.18
    12   8    -0.11   0.05  -0.00     0.13  -0.12   0.01    -0.00   0.09   0.10
    13   6    -0.01   0.01   0.03    -0.06  -0.00  -0.02     0.00   0.00  -0.01
    14   1     0.03   0.01  -0.00    -0.07  -0.02   0.00    -0.05  -0.25  -0.09
    15   8     0.11  -0.13  -0.00     0.07  -0.03  -0.00     0.04  -0.07  -0.02
    16   1    -0.07   0.07   0.02     0.04   0.03  -0.01     0.14  -0.18  -0.02
    17   1     0.30   0.26  -0.19    -0.05   0.02   0.12    -0.01  -0.10   0.38
    18   1    -0.18   0.28   0.14    -0.04  -0.02   0.26    -0.13   0.14   0.23
    19   1    -0.30   0.03  -0.15     0.38  -0.08   0.18    -0.04   0.02   0.34
    20   8    -0.02  -0.03  -0.01    -0.07   0.03   0.01     0.03  -0.02   0.01
    21   1    -0.01  -0.01   0.09    -0.06   0.01  -0.05     0.03  -0.01   0.06
    22   1    -0.01   0.07   0.03    -0.07  -0.04  -0.01    -0.06   0.07  -0.02
    23   1     0.44  -0.43  -0.10     0.58  -0.48  -0.14    -0.24   0.22   0.07
    24   1     0.01  -0.02  -0.03    -0.13   0.02  -0.01     0.09  -0.02   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    330.3392               337.7996               372.3144
 Red. masses --      1.9277                 5.5535                 1.3552
 Frc consts  --      0.1239                 0.3734                 0.1107
 IR Inten    --     56.4263                 3.4468                80.4127
 RamAct Fr= 1--      0.4492                 4.0721                 0.9625
  Dep-P Fr= 1--      0.1548                 0.3738                 0.5245
  Dep-U Fr= 1--      0.2681                 0.5442                 0.6881
 Alpha2 Fr= 1--      0.0069                 0.0330                 0.0042
 Beta2  Fr= 1--      0.0201                 0.3694                 0.1104
 AlphaG Fr= 1--     -0.0101                -0.0103                 0.0031
 Gamma2 Fr= 1--      0.1159                 0.0668                 0.0997
 Delta2 Fr= 1--      0.1516                 0.2298                 0.1929
 Raman1 Fr= 1--       1.797                 16.288                  3.850
 ROA1   Fr= 1--      15.978                 13.770                 15.747
 CID1   Fr= 1--       8.893                  0.845                  4.090
 Raman2 Fr= 1--       0.241                  4.432                  1.324
 ROA2   Fr= 1--       1.569                 -0.234                  0.850
 CID2   Fr= 1--       6.514                 -0.053                  0.642
 Raman3 Fr= 1--       0.482                  8.864                  2.649
 ROA3   Fr= 1--      15.978                 13.770                 15.747
 CID3   Fr= 1--      33.166                  1.553                  5.944
 RC180  Fr= 1--      -0.464                  0.088                  0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.03    -0.11  -0.02   0.04    -0.01  -0.01   0.03
     2   6     0.04   0.01  -0.02    -0.17   0.05   0.07    -0.01   0.01   0.07
     3   6     0.00  -0.01  -0.01    -0.07  -0.09  -0.01    -0.01  -0.02  -0.01
     4   6     0.03  -0.04   0.02     0.05  -0.02  -0.04    -0.01   0.00  -0.04
     5   8    -0.00  -0.03   0.03     0.00   0.02   0.04     0.01  -0.00  -0.02
     6   6     0.02   0.03  -0.01    -0.06   0.07   0.07     0.00   0.02   0.05
     7   8     0.01  -0.03  -0.00    -0.06   0.02  -0.03     0.06   0.04  -0.06
     8   1     0.03   0.00  -0.03    -0.15  -0.07   0.03    -0.06  -0.07   0.02
     9   8     0.03  -0.06  -0.03    -0.14   0.05  -0.06     0.02  -0.00  -0.03
    10   1     0.05   0.01  -0.02    -0.27   0.10   0.06    -0.08   0.03   0.07
    11   1    -0.01  -0.00  -0.01    -0.06  -0.14  -0.01     0.02  -0.05  -0.01
    12   8    -0.08   0.09   0.01     0.00  -0.19   0.00    -0.02   0.00   0.00
    13   6     0.04  -0.04   0.01     0.22   0.08  -0.07    -0.03   0.01   0.00
    14   1     0.02  -0.07   0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.04
    15   8    -0.10   0.14   0.00    -0.07   0.04  -0.03     0.03  -0.02  -0.01
    16   1     0.06   0.04  -0.01    -0.03   0.16   0.07    -0.03   0.09   0.05
    17   1    -0.16  -0.23   0.35    -0.11  -0.04   0.07    -0.30  -0.37   0.73
    18   1    -0.04   0.09   0.40    -0.23   0.17   0.13     0.08  -0.12  -0.32
    19   1    -0.26   0.06  -0.12     0.19  -0.16   0.13     0.05  -0.01   0.15
    20   8     0.01  -0.01  -0.01     0.35   0.02   0.02    -0.02  -0.01   0.01
    21   1     0.05  -0.04  -0.03     0.24   0.08  -0.05    -0.03   0.00   0.05
    22   1     0.07  -0.07   0.01     0.19   0.10  -0.08    -0.07   0.06  -0.00
    23   1     0.48  -0.43  -0.17     0.03  -0.18  -0.08    -0.10   0.03   0.02
    24   1     0.02  -0.01   0.04     0.37   0.02  -0.01    -0.03  -0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    393.1700               398.2934               404.0285
 Red. masses --      2.8965                 1.4087                 1.2721
 Frc consts  --      0.2638                 0.1317                 0.1224
 IR Inten    --      0.9543                80.3503               176.2038
 RamAct Fr= 1--      0.5583                 0.9139                 0.9174
  Dep-P Fr= 1--      0.6355                 0.7264                 0.5411
  Dep-U Fr= 1--      0.7771                 0.8416                 0.7022
 Alpha2 Fr= 1--      0.0012                 0.0004                 0.0037
 Beta2  Fr= 1--      0.0723                 0.1282                 0.1074
 AlphaG Fr= 1--      0.0032                 0.0008                 0.0021
 Gamma2 Fr= 1--      0.6019                -0.3989                -0.3049
 Delta2 Fr= 1--      0.2509                -0.4960                -0.2515
 Raman1 Fr= 1--       2.233                  3.656                  3.669
 ROA1   Fr= 1--      65.811                -54.161                -37.313
 CID1   Fr= 1--      29.468                -14.816                -10.169
 Raman2 Fr= 1--       0.868                  1.538                  1.288
 ROA2   Fr= 1--      12.438                 -5.605                 -5.305
 CID2   Fr= 1--      14.334                 -3.644                 -4.117
 Raman3 Fr= 1--       1.735                  3.076                  2.577
 ROA3   Fr= 1--      65.811                -54.161                -37.313
 CID3   Fr= 1--      37.920                -17.605                -14.481
 RC180  Fr= 1--       0.554                  0.683                  0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.02  -0.05   0.01    -0.01   0.02   0.02
     2   6     0.06  -0.01   0.14    -0.03   0.00   0.00     0.00  -0.01  -0.00
     3   6     0.01  -0.00  -0.13     0.04  -0.00   0.01    -0.02   0.01   0.03
     4   6    -0.05  -0.02  -0.16     0.05  -0.01   0.03     0.00   0.01   0.03
     5   8     0.02  -0.04   0.04    -0.02   0.04  -0.02     0.03  -0.03  -0.02
     6   6    -0.01  -0.01   0.13    -0.03   0.03  -0.01     0.02  -0.02  -0.00
     7   8    -0.06  -0.01   0.01    -0.01  -0.06  -0.01     0.03   0.05  -0.02
     8   1    -0.15  -0.03   0.01     0.05  -0.07   0.01     0.02   0.00   0.02
     9   8     0.15  -0.02  -0.04    -0.03   0.01   0.01     0.01  -0.05  -0.04
    10   1    -0.00   0.09   0.14    -0.03  -0.01   0.00    -0.01  -0.00  -0.00
    11   1     0.04  -0.16  -0.13     0.08   0.02   0.00     0.01   0.04   0.03
    12   8     0.03   0.07   0.04    -0.02   0.06  -0.05    -0.05   0.01  -0.04
    13   6    -0.08   0.09  -0.03     0.04  -0.04   0.03     0.00  -0.02   0.00
    14   1    -0.13  -0.14  -0.17     0.09  -0.02   0.03     0.02   0.05   0.03
    15   8    -0.09  -0.02  -0.05    -0.02   0.02   0.02     0.01  -0.01  -0.02
    16   1    -0.01   0.11   0.12    -0.05   0.03  -0.01     0.01  -0.01  -0.00
    17   1     0.12   0.16  -0.41     0.06   0.01  -0.17     0.00   0.03   0.05
    18   1     0.04   0.12   0.10     0.08  -0.16  -0.32    -0.20   0.28   0.64
    19   1     0.10   0.01   0.37     0.33  -0.02   0.76     0.21  -0.02   0.46
    20   8     0.01  -0.02   0.03    -0.01   0.01  -0.01    -0.01  -0.01  -0.00
    21   1    -0.04   0.04   0.17     0.05  -0.04   0.01    -0.02  -0.01  -0.04
    22   1    -0.23   0.27  -0.04     0.07  -0.05   0.03     0.03  -0.06   0.01
    23   1    -0.07  -0.30  -0.10     0.21  -0.14  -0.04    -0.30   0.27   0.07
    24   1     0.10  -0.01   0.03    -0.09   0.00  -0.06    -0.06  -0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.9287               446.3458               478.9638
 Red. masses --      5.0904                 3.3305                 4.6820
 Frc consts  --      0.5314                 0.3909                 0.6328
 IR Inten    --      7.6571                21.1170                 4.8787
 RamAct Fr= 1--      4.9443                 3.2156                 9.0470
  Dep-P Fr= 1--      0.4324                 0.2905                 0.0703
  Dep-U Fr= 1--      0.6038                 0.4502                 0.1313
 Alpha2 Fr= 1--      0.0325                 0.0339                 0.1702
 Beta2  Fr= 1--      0.4975                 0.2413                 0.1980
 AlphaG Fr= 1--      0.0016                 0.0069                -0.0156
 Gamma2 Fr= 1--      0.4588                -0.5917                -0.1314
 Delta2 Fr= 1--      0.1104                -0.1950                -0.2201
 Raman1 Fr= 1--      19.777                 12.862                 36.188
 ROA1   Fr= 1--      47.573                -63.047                -19.661
 CID1   Fr= 1--       2.405                 -4.902                 -0.543
 Raman2 Fr= 1--       5.970                  2.896                  2.376
 ROA2   Fr= 1--      10.128                -12.642                 -1.394
 CID2   Fr= 1--       1.696                 -4.366                 -0.587
 Raman3 Fr= 1--      11.941                  5.791                  4.751
 ROA3   Fr= 1--      47.573                -63.047                -19.661
 CID3   Fr= 1--       3.984                -10.887                 -4.138
 RC180  Fr= 1--       0.208                 -0.100                 -0.737
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05     0.00  -0.10   0.04    -0.04   0.13  -0.03
     2   6    -0.06  -0.09   0.01    -0.07   0.03   0.09    -0.05   0.08   0.04
     3   6     0.15   0.12   0.07     0.08  -0.07  -0.04     0.07   0.04  -0.13
     4   6    -0.00   0.13   0.02     0.07  -0.04  -0.07     0.10  -0.17   0.04
     5   8    -0.09   0.11  -0.04     0.01   0.14  -0.04    -0.00  -0.15  -0.06
     6   6    -0.17  -0.08  -0.01     0.01   0.16   0.04    -0.06  -0.02   0.08
     7   8     0.11  -0.06  -0.03    -0.06  -0.12  -0.01    -0.09   0.16   0.04
     8   1     0.11  -0.13   0.05    -0.05  -0.16   0.03    -0.17   0.19  -0.03
     9   8    -0.07  -0.12  -0.04    -0.05  -0.07  -0.06    -0.08   0.02  -0.03
    10   1    -0.10  -0.10   0.00    -0.14   0.10   0.09    -0.08   0.21   0.04
    11   1     0.21   0.20   0.06     0.12  -0.16  -0.04     0.03   0.05  -0.13
    12   8     0.21   0.11  -0.01     0.07  -0.02   0.04     0.12   0.15   0.03
    13   6    -0.00   0.08  -0.00    -0.01  -0.05   0.06     0.14  -0.17   0.10
    14   1    -0.00   0.21   0.03     0.15  -0.09  -0.07     0.25  -0.29   0.04
    15   8    -0.20  -0.12  -0.00     0.12   0.10  -0.02    -0.01  -0.13  -0.02
    16   1    -0.25  -0.10  -0.01    -0.03   0.29   0.03    -0.13   0.06   0.08
    17   1     0.01  -0.16   0.22    -0.02  -0.14  -0.15    -0.12   0.09   0.05
    18   1    -0.14   0.02   0.33    -0.15   0.12   0.39    -0.05  -0.01  -0.04
    19   1     0.11   0.15  -0.28    -0.14  -0.00  -0.31    -0.11   0.12  -0.16
    20   8     0.05   0.02  -0.01    -0.11   0.02  -0.01    -0.04   0.03  -0.05
    21   1    -0.04   0.07   0.01     0.05  -0.07   0.14     0.26  -0.15   0.04
    22   1     0.01   0.10  -0.01    -0.05   0.04   0.05     0.25  -0.19   0.10
    23   1    -0.20  -0.16  -0.01    -0.14   0.34   0.05    -0.20  -0.07   0.02
    24   1     0.17   0.03   0.08    -0.23   0.01  -0.12    -0.04   0.01   0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    500.6743               551.3522               598.3011
 Red. masses --      1.1298                 3.0665                 5.0855
 Frc consts  --      0.1669                 0.5492                 1.0726
 IR Inten    --    134.8776                32.3786                 2.8241
 RamAct Fr= 1--      0.8375                 0.6858                 0.6668
  Dep-P Fr= 1--      0.5201                 0.1995                 0.2233
  Dep-U Fr= 1--      0.6843                 0.3327                 0.3651
 Alpha2 Fr= 1--      0.0038                 0.0093                 0.0085
 Beta2  Fr= 1--      0.0955                 0.0380                 0.0406
 AlphaG Fr= 1--     -0.0001                 0.0072                 0.0109
 Gamma2 Fr= 1--     -0.5425                -0.0407                -0.1041
 Delta2 Fr= 1--     -0.5070                 0.0339                -0.0852
 Raman1 Fr= 1--       3.350                  2.743                  2.667
 ROA1   Fr= 1--     -68.306                 -2.826                -12.719
 CID1   Fr= 1--     -20.389                 -1.030                 -4.769
 Raman2 Fr= 1--       1.146                  0.456                  0.487
 ROA2   Fr= 1--      -8.965                 -1.248                 -1.817
 CID2   Fr= 1--      -7.822                 -2.736                 -3.731
 Raman3 Fr= 1--       2.292                  0.913                  0.974
 ROA3   Fr= 1--     -68.306                 -2.826                -12.719
 CID3   Fr= 1--     -29.797                 -3.096                -13.061
 RC180  Fr= 1--       0.369                 -0.335                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.05   0.02   0.20    -0.13  -0.07   0.07
     2   6    -0.00   0.00   0.01    -0.01  -0.06  -0.08    -0.14  -0.11   0.00
     3   6    -0.01  -0.01  -0.00     0.11  -0.09   0.04     0.00   0.06  -0.04
     4   6    -0.00   0.01   0.01    -0.01  -0.11  -0.13     0.07   0.08  -0.03
     5   8     0.00   0.00  -0.01    -0.05   0.03   0.07     0.25  -0.13   0.03
     6   6     0.01   0.02   0.00     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8     0.01  -0.02  -0.00    -0.05   0.16  -0.04     0.04  -0.03  -0.03
     8   1    -0.01  -0.03  -0.00     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8     0.00  -0.00  -0.00    -0.05  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.01   0.00   0.01    -0.07  -0.34  -0.09    -0.29  -0.28  -0.02
    11   1    -0.01   0.01   0.00     0.35  -0.31   0.03     0.03   0.09  -0.04
    12   8    -0.01  -0.03  -0.02    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6    -0.01   0.02   0.01    -0.01   0.02  -0.01    -0.07   0.02  -0.02
    14   1     0.03   0.02   0.02    -0.10  -0.20  -0.13     0.04   0.08  -0.03
    15   8     0.02   0.01  -0.00     0.01   0.03   0.03    -0.07   0.14   0.01
    16   1     0.00   0.03   0.00     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1     0.01  -0.01  -0.00    -0.10  -0.05  -0.08     0.06   0.08   0.04
    18   1    -0.00   0.01   0.01    -0.03  -0.02   0.03    -0.27   0.18  -0.16
    19   1     0.03  -0.04   0.07    -0.11  -0.02   0.06     0.16   0.07  -0.04
    20   8    -0.04   0.01  -0.05     0.00   0.00   0.00    -0.09  -0.03   0.01
    21   1    -0.00   0.02   0.01     0.13  -0.03   0.25    -0.16   0.02  -0.06
    22   1     0.03   0.02   0.01    -0.15   0.26  -0.02    -0.12  -0.04  -0.01
    23   1     0.00   0.03   0.00     0.16   0.13   0.03     0.09  -0.14  -0.06
    24   1     0.45   0.02   0.88     0.09   0.01   0.13    -0.08  -0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    619.9599               665.9491               899.6210
 Red. masses --      3.4356                 4.9112                 1.7753
 Frc consts  --      0.7780                 1.2833                 0.8465
 IR Inten    --      7.7947                19.4019                 8.6701
 RamAct Fr= 1--      0.1560                 0.3696                 1.6127
  Dep-P Fr= 1--      0.7181                 0.6069                 0.2725
  Dep-U Fr= 1--      0.8359                 0.7553                 0.4283
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0179
 Beta2  Fr= 1--      0.0217                 0.0465                 0.1151
 AlphaG Fr= 1--      0.0006                 0.0020                 0.0006
 Gamma2 Fr= 1--      0.0630                -0.2580                 0.3243
 Delta2 Fr= 1--      0.0367                -0.1021                 0.2201
 Raman1 Fr= 1--       0.624                  1.478                  6.451
 ROA1   Fr= 1--       7.219                -28.038                 38.173
 CID1   Fr= 1--      11.568                -18.968                  5.917
 Raman2 Fr= 1--       0.261                  0.558                  1.381
 ROA2   Fr= 1--       1.218                 -5.375                  6.021
 CID2   Fr= 1--       4.669                 -9.628                  4.359
 Raman3 Fr= 1--       0.522                  1.117                  2.763
 ROA3   Fr= 1--       7.219                -28.038                 38.173
 CID3   Fr= 1--      13.839                -25.111                 13.816
 RC180  Fr= 1--       0.672                  0.511                 -0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.03   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.02  -0.03  -0.13     0.04  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.52  -0.08   0.03     0.22   0.15  -0.00     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.02     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.09   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.04  -0.12     0.02  -0.25   0.04    -0.09   0.19   0.12
    12   8     0.02  -0.04   0.04    -0.12  -0.13  -0.00     0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.07  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.16  -0.09
    15   8    -0.03   0.03   0.03    -0.19  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.12     0.00  -0.20   0.11     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.04     0.04   0.12   0.08
    18   1    -0.02   0.13  -0.10     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.07  -0.01  -0.04    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.09    -0.02  -0.06   0.04     0.33  -0.24   0.50
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.10   0.14   0.03    -0.26  -0.43  -0.05    -0.04  -0.05  -0.01
    24   1    -0.09  -0.00   0.02    -0.15  -0.02   0.09    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    997.7057              1010.3726              1023.4088
 Red. masses --      3.9671                 3.8869                 3.7461
 Frc consts  --      2.3266                 2.3379                 2.3117
 IR Inten    --    129.1611                41.2653                19.3072
 RamAct Fr= 1--      0.1408                 1.7824                 0.7866
  Dep-P Fr= 1--      0.6927                 0.4161                 0.6211
  Dep-U Fr= 1--      0.8185                 0.5877                 0.7663
 Alpha2 Fr= 1--      0.0001                 0.0125                 0.0019
 Beta2  Fr= 1--      0.0192                 0.1746                 0.1005
 AlphaG Fr= 1--      0.0002                 0.0169                -0.0078
 Gamma2 Fr= 1--     -0.2567                 0.1637                 0.1159
 Delta2 Fr= 1--     -0.2352                 0.2212                 0.0354
 Raman1 Fr= 1--       0.563                  7.130                  3.146
 ROA1   Fr= 1--     -32.171                 22.791                 12.260
 CID1   Fr= 1--     -57.139                  3.197                  3.897
 Raman2 Fr= 1--       0.230                  2.095                  1.206
 ROA2   Fr= 1--      -4.280                  2.158                  2.499
 CID2   Fr= 1--     -18.574                  1.030                  2.073
 Raman3 Fr= 1--       0.461                  4.190                  2.411
 ROA3   Fr= 1--     -32.171                 22.791                 12.260
 CID3   Fr= 1--     -69.811                  5.440                  5.085
 RC180  Fr= 1--       0.637                  0.175                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.09   0.16    -0.10  -0.06  -0.17     0.24   0.01  -0.09
     2   6     0.07   0.23   0.09    -0.08   0.04   0.05     0.05  -0.16   0.17
     3   6    -0.07   0.11  -0.04     0.10  -0.11   0.13     0.05   0.15  -0.09
     4   6     0.06   0.04  -0.08     0.18   0.02   0.02     0.03   0.04  -0.01
     5   8     0.04  -0.06   0.09     0.08  -0.07   0.10     0.05  -0.04   0.05
     6   6    -0.00   0.01  -0.21    -0.15   0.06  -0.14    -0.11  -0.02  -0.05
     7   8     0.03  -0.14  -0.06    -0.04   0.06   0.03    -0.00   0.07   0.06
     8   1    -0.15  -0.10   0.13    -0.13  -0.04  -0.16     0.11   0.07  -0.08
     9   8    -0.03   0.01  -0.04     0.08  -0.03   0.02    -0.11   0.00  -0.05
    10   1    -0.06   0.12   0.08     0.09   0.16   0.07    -0.00  -0.18   0.15
    11   1    -0.02  -0.01  -0.04     0.04   0.01   0.13    -0.25   0.24  -0.08
    12   8    -0.04  -0.03   0.03     0.03   0.02  -0.03    -0.12  -0.09   0.05
    13   6     0.04  -0.02   0.02    -0.01   0.06  -0.13     0.01  -0.04  -0.03
    14   1     0.07  -0.11  -0.08     0.06   0.24   0.03    -0.05   0.03  -0.01
    15   8    -0.08  -0.12   0.03    -0.03  -0.04   0.00     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.20    -0.11   0.17  -0.13    -0.12   0.19  -0.05
    17   1     0.04  -0.13  -0.06    -0.01   0.32   0.20    -0.05  -0.37  -0.25
    18   1     0.36  -0.28   0.24    -0.04   0.06  -0.07    -0.29   0.14  -0.18
    19   1     0.27   0.11  -0.15    -0.15  -0.06   0.07     0.11   0.01  -0.05
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.04    -0.00   0.00   0.01
    21   1    -0.01  -0.02  -0.01    -0.02   0.01   0.11     0.02  -0.08   0.16
    22   1     0.01  -0.04   0.02    -0.20   0.25  -0.13    -0.06   0.16  -0.05
    23   1     0.28   0.35   0.06     0.31   0.35   0.03     0.18   0.20  -0.01
    24   1    -0.08  -0.02   0.04     0.02  -0.02  -0.00    -0.11  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1049.4672              1079.6879              1090.3917
 Red. masses --      3.1765                 4.5624                 4.2117
 Frc consts  --      2.0613                 3.1336                 2.9504
 IR Inten    --     30.8342                 7.9353               209.5780
 RamAct Fr= 1--      1.3007                 1.7102                 4.3294
  Dep-P Fr= 1--      0.5377                 0.3986                 0.3875
  Dep-U Fr= 1--      0.6994                 0.5700                 0.5586
 Alpha2 Fr= 1--      0.0053                 0.0127                 0.0335
 Beta2  Fr= 1--      0.1516                 0.1625                 0.4031
 AlphaG Fr= 1--     -0.0164                -0.0104                 0.0313
 Gamma2 Fr= 1--      1.6457                -0.7298                 1.3223
 Delta2 Fr= 1--      1.3512                -0.1873                 0.3163
 Raman1 Fr= 1--       5.203                  6.841                 17.318
 ROA1   Fr= 1--     201.221                -76.055                137.060
 CID1   Fr= 1--      38.677                -11.118                  7.914
 Raman2 Fr= 1--       1.819                  1.950                  4.837
 ROA2   Fr= 1--      28.687                -16.018                 29.204
 CID2   Fr= 1--      15.768                 -8.215                  6.038
 Raman3 Fr= 1--       3.639                  3.900                  9.673
 ROA3   Fr= 1--     201.221                -76.055                137.060
 CID3   Fr= 1--      55.303                -19.504                 14.169
 RC180  Fr= 1--       0.399                  0.140                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.08   0.07   0.02     0.06   0.12  -0.05
     2   6     0.06   0.09   0.12    -0.04  -0.03   0.03    -0.14  -0.01   0.07
     3   6     0.11  -0.07  -0.06    -0.17  -0.05   0.01    -0.11  -0.06   0.07
     4   6    -0.12  -0.06   0.18    -0.12  -0.15   0.05    -0.10  -0.11  -0.00
     5   8     0.04   0.11  -0.08     0.13   0.10  -0.04     0.17   0.06   0.00
     6   6     0.15  -0.05  -0.08    -0.03   0.04  -0.03    -0.03   0.03  -0.08
     7   8    -0.02   0.02   0.02     0.02  -0.02  -0.00     0.01  -0.04  -0.01
     8   1    -0.37  -0.11  -0.05     0.24   0.11   0.03     0.41   0.16  -0.04
     9   8    -0.06   0.03  -0.05     0.01  -0.02   0.01     0.06  -0.04   0.03
    10   1     0.01   0.09   0.11    -0.08  -0.11   0.02    -0.10   0.02   0.08
    11   1    -0.01   0.20  -0.05    -0.24   0.05   0.00    -0.10  -0.14   0.06
    12   8     0.01  -0.01   0.00     0.06   0.07  -0.03     0.05   0.06  -0.04
    13   6    -0.05  -0.04  -0.08     0.24   0.16  -0.11    -0.20  -0.09   0.12
    14   1    -0.25   0.15   0.17    -0.24  -0.12   0.03     0.12  -0.21   0.00
    15   8    -0.07  -0.05   0.03    -0.03  -0.02   0.01    -0.06  -0.03   0.01
    16   1     0.20  -0.12  -0.08     0.00   0.06  -0.03     0.13   0.12  -0.07
    17   1    -0.03  -0.03  -0.02    -0.01  -0.23  -0.13     0.00  -0.08  -0.03
    18   1     0.12  -0.11   0.10    -0.12   0.08  -0.09    -0.27   0.21  -0.21
    19   1    -0.38  -0.18   0.20     0.05   0.06  -0.03     0.06   0.07  -0.05
    20   8     0.04   0.02   0.01    -0.18  -0.13   0.11     0.16   0.09  -0.10
    21   1     0.05  -0.10   0.25     0.43   0.18  -0.18    -0.25  -0.06  -0.02
    22   1    -0.04   0.29  -0.10     0.24  -0.05  -0.07    -0.13  -0.17   0.11
    23   1     0.02   0.03   0.03     0.02   0.02   0.01     0.21   0.21   0.02
    24   1    -0.03   0.01   0.03     0.21  -0.06  -0.13    -0.05   0.05   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1099.2875              1104.1177              1114.2679
 Red. masses --      3.2079                 3.5397                 2.5867
 Frc consts  --      2.2840                 2.5424                 1.8922
 IR Inten    --    190.0371                94.1782                66.7533
 RamAct Fr= 1--      4.9981                 1.6638                 6.0951
  Dep-P Fr= 1--      0.1566                 0.5388                 0.6798
  Dep-U Fr= 1--      0.2709                 0.7003                 0.8094
 Alpha2 Fr= 1--      0.0760                 0.0068                 0.0075
 Beta2  Fr= 1--      0.2256                 0.1942                 0.8222
 AlphaG Fr= 1--     -0.0239                 0.0163                -0.0021
 Gamma2 Fr= 1--     -1.1525                -0.9910                 1.9016
 Delta2 Fr= 1--     -0.7029                -0.4781                 0.5700
 Raman1 Fr= 1--      19.993                  6.655                 24.380
 ROA1   Fr= 1--    -133.137               -110.431                200.793
 CID1   Fr= 1--      -6.659                -16.593                  8.236
 Raman2 Fr= 1--       2.708                  2.330                  9.867
 ROA2   Fr= 1--     -22.038                -19.958                 41.079
 CID2   Fr= 1--      -8.139                 -8.565                  4.163
 Raman3 Fr= 1--       5.415                  4.660                 19.733
 ROA3   Fr= 1--    -133.137               -110.431                200.793
 CID3   Fr= 1--     -24.586                -23.695                 10.175
 RC180  Fr= 1--      -0.458                  0.401                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.14    -0.08   0.14   0.03    -0.04   0.23   0.00
     2   6     0.06  -0.05   0.18     0.02  -0.06  -0.07     0.01  -0.06   0.04
     3   6     0.03   0.02   0.15     0.19   0.16   0.01     0.08  -0.09  -0.03
     4   6     0.03  -0.04  -0.12     0.03  -0.18   0.07    -0.06   0.16   0.00
     5   8    -0.14   0.02  -0.02     0.07   0.03  -0.03    -0.01  -0.04   0.02
     6   6     0.18  -0.07  -0.03    -0.03   0.13   0.04    -0.02  -0.00   0.01
     7   8    -0.01  -0.01   0.01     0.01  -0.09  -0.06     0.01  -0.11  -0.06
     8   1     0.10  -0.05  -0.14    -0.17   0.14   0.01    -0.03   0.31  -0.00
     9   8    -0.07   0.02  -0.05     0.01  -0.00   0.01    -0.01  -0.02  -0.00
    10   1     0.17   0.12   0.18     0.01  -0.30  -0.08     0.04  -0.14   0.04
    11   1     0.08  -0.12   0.15     0.26   0.22   0.03     0.27  -0.28  -0.03
    12   8    -0.01   0.00  -0.02    -0.11  -0.08   0.06     0.01  -0.01  -0.01
    13   6     0.02   0.07   0.08    -0.09   0.06  -0.07     0.09  -0.04   0.03
    14   1     0.07  -0.14  -0.11     0.14  -0.39   0.07    -0.25   0.32   0.00
    15   8    -0.03  -0.01   0.02    -0.02  -0.04   0.02     0.01   0.01  -0.00
    16   1     0.21   0.05  -0.04    -0.07   0.11   0.04    -0.01   0.05   0.01
    17   1     0.03   0.25   0.14     0.05   0.32   0.20     0.03   0.09   0.07
    18   1    -0.20   0.12  -0.11    -0.11   0.08  -0.07    -0.24   0.16  -0.16
    19   1     0.10   0.04  -0.04     0.09   0.00  -0.04    -0.40  -0.19   0.16
    20   8    -0.03  -0.02  -0.01    -0.00  -0.00   0.01    -0.02  -0.01   0.01
    21   1     0.19   0.17  -0.30     0.11   0.08  -0.07    -0.03  -0.07   0.10
    22   1    -0.04  -0.34   0.11    -0.15   0.01  -0.06     0.17   0.05   0.03
    23   1     0.08   0.12   0.02    -0.10  -0.11   0.01     0.04   0.04  -0.00
    24   1     0.28   0.03  -0.17     0.25   0.04  -0.11    -0.16  -0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.1060              1136.1901              1160.7147
 Red. masses --      3.7895                 3.3513                 2.9776
 Frc consts  --      2.7963                 2.5490                 2.3636
 IR Inten    --    130.4360                 8.2614                39.5947
 RamAct Fr= 1--      4.9642                 3.8152                 3.3023
  Dep-P Fr= 1--      0.4969                 0.7097                 0.5042
  Dep-U Fr= 1--      0.6639                 0.8302                 0.6704
 Alpha2 Fr= 1--      0.0249                 0.0027                 0.0160
 Beta2  Fr= 1--      0.5493                 0.5279                 0.3690
 AlphaG Fr= 1--     -0.0256                 0.0012                -0.0121
 Gamma2 Fr= 1--      1.3171                -0.4797                -0.3150
 Delta2 Fr= 1--      0.9501                -0.3205                 0.2314
 Raman1 Fr= 1--      19.857                 15.261                 13.209
 ROA1   Fr= 1--     156.844                -56.312                -22.839
 CID1   Fr= 1--       7.899                 -3.690                 -1.729
 Raman2 Fr= 1--       6.591                  6.334                  4.428
 ROA2   Fr= 1--      24.009                 -8.950                 -9.412
 CID2   Fr= 1--       3.642                 -1.413                 -2.126
 Raman3 Fr= 1--      13.183                 12.669                  8.855
 ROA3   Fr= 1--     156.844                -56.312                -22.839
 CID3   Fr= 1--      11.898                 -4.445                 -2.579
 RC180  Fr= 1--       0.328                  0.660                  0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.01    -0.02   0.09   0.05    -0.02  -0.12   0.00
     2   6    -0.21  -0.01  -0.05     0.20  -0.10   0.02     0.12  -0.09  -0.09
     3   6     0.00   0.02  -0.07    -0.16  -0.13   0.06    -0.00  -0.00  -0.01
     4   6     0.12   0.06   0.03     0.16  -0.04   0.06    -0.10   0.05  -0.05
     5   8    -0.15  -0.05  -0.03    -0.06   0.01   0.01     0.06  -0.03   0.02
     6   6     0.25   0.14   0.02     0.02   0.09   0.03     0.02   0.23   0.02
     7   8     0.01   0.01   0.01     0.02  -0.03  -0.02    -0.01   0.06   0.02
     8   1     0.19   0.17   0.00    -0.12   0.11   0.05    -0.04  -0.16   0.00
     9   8     0.09  -0.04   0.07    -0.10   0.04  -0.06    -0.05   0.03  -0.02
    10   1    -0.31  -0.09  -0.05     0.24  -0.35   0.00     0.20  -0.19  -0.10
    11   1    -0.10   0.09  -0.06    -0.31  -0.07   0.05     0.04  -0.04  -0.01
    12   8    -0.02  -0.02   0.01     0.07   0.07  -0.05     0.02   0.00  -0.00
    13   6     0.00   0.00  -0.08    -0.08   0.01  -0.11     0.04  -0.03   0.10
    14   1     0.07   0.02   0.04     0.37  -0.00   0.07    -0.37   0.12  -0.06
    15   8    -0.09  -0.11   0.05    -0.01  -0.03   0.02    -0.08  -0.12   0.03
    16   1     0.42   0.24   0.01    -0.15   0.15   0.04     0.13   0.56   0.03
    17   1    -0.03  -0.34  -0.20     0.01  -0.12  -0.10    -0.00   0.16   0.09
    18   1    -0.16   0.15  -0.08    -0.03  -0.02   0.00     0.05  -0.05   0.05
    19   1     0.01  -0.00  -0.01     0.03   0.05  -0.03    -0.07  -0.03   0.04
    20   8    -0.01  -0.00   0.02     0.02   0.01   0.01     0.01   0.01  -0.02
    21   1    -0.10  -0.05   0.12    -0.29  -0.06   0.13     0.11   0.01  -0.07
    22   1    -0.00   0.22  -0.10    -0.06   0.27  -0.14    -0.03  -0.20   0.12
    23   1     0.09   0.15   0.07    -0.15  -0.13   0.02     0.19   0.24   0.06
    24   1    -0.07  -0.01   0.04    -0.13  -0.01   0.09     0.01   0.01  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1189.1415              1228.3300              1249.4276
 Red. masses --      1.1651                 1.2601                 1.1551
 Frc consts  --      0.9707                 1.1202                 1.0625
 IR Inten    --     12.2110                 3.9138                10.5409
 RamAct Fr= 1--      2.0168                 1.8057                 4.0751
  Dep-P Fr= 1--      0.7450                 0.4321                 0.7500
  Dep-U Fr= 1--      0.8539                 0.6035                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0119                 0.0000
 Beta2  Fr= 1--      0.2870                 0.1816                 0.5821
 AlphaG Fr= 1--     -0.0008                 0.0039                -0.0004
 Gamma2 Fr= 1--     -2.0138                 1.0351                 0.0932
 Delta2 Fr= 1--     -1.2319                 0.8159                 0.0920
 Raman1 Fr= 1--       8.067                  7.223                 16.300
 ROA1   Fr= 1--    -232.750                125.476                 11.886
 CID1   Fr= 1--     -28.851                 17.372                  0.729
 Raman2 Fr= 1--       3.444                  2.179                  6.986
 ROA2   Fr= 1--     -38.477                 18.314                  1.500
 CID2   Fr= 1--     -11.171                  8.403                  0.215
 Raman3 Fr= 1--       6.889                  4.359                 13.971
 ROA3   Fr= 1--    -232.750                125.476                 11.886
 CID3   Fr= 1--     -33.788                 28.787                  0.851
 RC180  Fr= 1--       0.708                  0.207                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.01    -0.05  -0.02   0.09     0.01   0.00   0.02
     2   6     0.02  -0.02   0.01     0.03  -0.03  -0.03    -0.00  -0.01   0.03
     3   6    -0.01   0.03  -0.03    -0.02  -0.00  -0.04    -0.05   0.01  -0.06
     4   6    -0.03   0.01   0.04     0.03  -0.00   0.03     0.03   0.01   0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01  -0.00   0.01
     6   6     0.02  -0.02  -0.00    -0.00  -0.05   0.01     0.01  -0.01  -0.00
     7   8    -0.01   0.01  -0.00     0.02  -0.00  -0.02    -0.03  -0.01  -0.01
     8   1     0.33  -0.08   0.01     0.05   0.22   0.11     0.62  -0.11   0.02
     9   8    -0.01   0.00  -0.01    -0.01  -0.02   0.01    -0.00   0.02  -0.01
    10   1     0.17   0.26   0.03     0.34   0.58   0.01    -0.10  -0.12   0.02
    11   1     0.26  -0.26  -0.03     0.06   0.17  -0.03    -0.01   0.33  -0.06
    12   8    -0.01  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.02   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.07  -0.30   0.03     0.02   0.10   0.03     0.11   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    16   1     0.01   0.11  -0.01     0.01   0.14   0.01    -0.05   0.04  -0.00
    17   1     0.01   0.23   0.14    -0.01  -0.16  -0.09     0.02   0.39   0.24
    18   1    -0.08   0.06  -0.06    -0.25   0.17  -0.18     0.13  -0.09   0.09
    19   1     0.15   0.07  -0.09    -0.05  -0.03   0.03    -0.31  -0.15   0.15
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.08     0.27   0.01   0.00     0.14  -0.01   0.01
    22   1     0.37   0.18  -0.07    -0.25  -0.02   0.00    -0.17   0.01  -0.01
    23   1     0.08   0.09   0.00     0.18   0.17  -0.01    -0.02  -0.01   0.00
    24   1    -0.25  -0.05   0.15     0.16   0.03  -0.09     0.07   0.01  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1274.0805              1280.5282              1306.9922
 Red. masses --      1.2554                 1.2923                 1.1518
 Frc consts  --      1.2007                 1.2485                 1.1593
 IR Inten    --     19.9903                69.1661                 8.6203
 RamAct Fr= 1--      3.0987                 3.2573                 1.8853
  Dep-P Fr= 1--      0.2787                 0.3700                 0.7450
  Dep-U Fr= 1--      0.4359                 0.5401                 0.8539
 Alpha2 Fr= 1--      0.0338                 0.0268                 0.0002
 Beta2  Fr= 1--      0.2251                 0.2932                 0.2683
 AlphaG Fr= 1--     -0.0043                 0.0215                 0.0014
 Gamma2 Fr= 1--     -0.3523                 0.1110                 0.2228
 Delta2 Fr= 1--     -0.9430                -0.5679                 0.2585
 Raman1 Fr= 1--      12.395                 13.029                  7.541
 ROA1   Fr= 1--     -63.995                 -7.515                 29.665
 CID1   Fr= 1--      -5.163                 -0.577                  3.934
 Raman2 Fr= 1--       2.702                  3.519                  3.220
 ROA2   Fr= 1--      -0.910                  7.208                  3.280
 CID2   Fr= 1--      -0.337                  2.048                  1.019
 Raman3 Fr= 1--       5.403                  7.037                  6.439
 ROA3   Fr= 1--     -63.995                 -7.515                 29.665
 CID3   Fr= 1--     -11.844                 -1.068                  4.607
 RC180  Fr= 1--      -0.128                  0.080                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.02  -0.04   0.01     0.02   0.00   0.00
     2   6     0.01  -0.02  -0.03    -0.02   0.08   0.03     0.01   0.02   0.00
     3   6     0.02   0.01   0.05    -0.00   0.01  -0.01    -0.01   0.00  -0.02
     4   6    -0.02  -0.05  -0.09    -0.01  -0.01  -0.04    -0.05  -0.01  -0.00
     5   8    -0.00   0.01   0.00     0.00  -0.02   0.02    -0.01  -0.01  -0.00
     6   6    -0.02  -0.03   0.03     0.01   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.00  -0.00  -0.01     0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.20   0.08   0.02     0.09  -0.09   0.01    -0.03  -0.16  -0.01
     9   8     0.00   0.00   0.01     0.00  -0.04  -0.01    -0.00  -0.01  -0.01
    10   1    -0.12   0.16  -0.03     0.53  -0.19   0.05     0.14  -0.13   0.01
    11   1    -0.12   0.54   0.06     0.08   0.32  -0.00     0.05  -0.11  -0.03
    12   8     0.02  -0.01  -0.01     0.01  -0.01   0.01    -0.01   0.00   0.00
    13   6     0.02   0.03   0.01     0.02   0.01   0.02    -0.02  -0.01  -0.02
    14   1     0.18  -0.02  -0.09    -0.04   0.02  -0.05     0.51   0.35   0.01
    15   8    -0.01  -0.00  -0.01     0.01  -0.01   0.02    -0.00  -0.01  -0.01
    16   1     0.13   0.10   0.03    -0.03  -0.31  -0.05     0.57  -0.23   0.07
    17   1    -0.00  -0.03  -0.02    -0.01  -0.09  -0.05     0.00   0.08   0.05
    18   1     0.04  -0.03   0.02    -0.33   0.22  -0.21    -0.05   0.03  -0.03
    19   1    -0.33  -0.16   0.16    -0.10  -0.05   0.05     0.08   0.04  -0.04
    20   8     0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.37   0.01  -0.05    -0.16   0.01  -0.03     0.21  -0.01   0.03
    22   1     0.34   0.02  -0.00     0.07  -0.03   0.02     0.16   0.06  -0.04
    23   1     0.17   0.17  -0.00    -0.28  -0.30   0.01     0.14   0.13  -0.00
    24   1    -0.17  -0.03   0.08    -0.09  -0.02   0.05     0.09   0.01  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1337.3504              1346.4253              1354.5166
 Red. masses --      1.3344                 1.2478                 1.2898
 Frc consts  --      1.4061                 1.3328                 1.3942
 IR Inten    --     31.8658                34.6655                 1.3698
 RamAct Fr= 1--      0.6620                 2.8478                 2.0390
  Dep-P Fr= 1--      0.5374                 0.5293                 0.5334
  Dep-U Fr= 1--      0.6991                 0.6922                 0.6957
 Alpha2 Fr= 1--      0.0027                 0.0122                 0.0085
 Beta2  Fr= 1--      0.0771                 0.3286                 0.2364
 AlphaG Fr= 1--      0.0077                 0.0093                 0.0163
 Gamma2 Fr= 1--      0.2096                -0.5835                -0.1390
 Delta2 Fr= 1--     -0.0274                 0.7331                -0.0117
 Raman1 Fr= 1--       2.648                 11.391                  8.156
 ROA1   Fr= 1--      19.242                -32.559                -13.719
 CID1   Fr= 1--       7.266                 -2.858                 -1.682
 Raman2 Fr= 1--       0.926                  3.943                  2.837
 ROA2   Fr= 1--       5.248                -19.869                 -3.243
 CID2   Fr= 1--       5.670                 -5.040                 -1.143
 Raman3 Fr= 1--       1.851                  7.885                  5.674
 ROA3   Fr= 1--      19.242                -32.559                -13.719
 CID3   Fr= 1--      10.394                 -4.129                 -2.418
 RC180  Fr= 1--       0.398                  0.384                  0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.04    -0.08  -0.02  -0.04     0.01  -0.01   0.01
     2   6    -0.01  -0.01  -0.00    -0.05  -0.03   0.05     0.01  -0.03   0.00
     3   6    -0.03   0.05   0.04     0.00  -0.02  -0.00     0.03  -0.04  -0.04
     4   6    -0.07   0.05  -0.02     0.01  -0.03   0.00    -0.03  -0.08  -0.02
     5   8     0.02  -0.01   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.04
     6   6     0.04   0.01  -0.04    -0.03  -0.01   0.02     0.05   0.01  -0.06
     7   8     0.02   0.01   0.02     0.02   0.01  -0.00    -0.01  -0.00  -0.01
     8   1    -0.02   0.04  -0.04     0.23   0.51   0.01     0.05   0.15   0.02
     9   8     0.00   0.01  -0.00     0.00   0.04  -0.03     0.00   0.00   0.01
    10   1    -0.03  -0.01  -0.01     0.26  -0.22   0.07    -0.19   0.19  -0.01
    11   1     0.26  -0.08   0.03     0.34   0.15  -0.00    -0.00   0.07  -0.05
    12   8     0.02  -0.01  -0.01    -0.01   0.00   0.02    -0.03   0.01   0.02
    13   6    -0.05  -0.04  -0.03     0.01   0.02   0.01    -0.02   0.02   0.01
    14   1     0.46  -0.17  -0.01    -0.08   0.10  -0.00     0.13   0.68  -0.01
    15   8     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.03
    16   1    -0.31   0.20  -0.05     0.21   0.04   0.03    -0.25   0.21  -0.07
    17   1    -0.02  -0.28  -0.16    -0.01  -0.25  -0.15     0.01   0.14   0.08
    18   1     0.07  -0.05   0.04     0.35  -0.23   0.22    -0.00   0.00  -0.01
    19   1    -0.24  -0.12   0.11     0.11   0.05  -0.05     0.27   0.14  -0.12
    20   8    -0.01   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   1     0.34  -0.03   0.06    -0.09   0.02  -0.02    -0.05   0.02  -0.03
    22   1     0.32   0.09  -0.05    -0.03  -0.03   0.01     0.23  -0.02   0.01
    23   1    -0.13  -0.12   0.01     0.02   0.03   0.00    -0.20  -0.21   0.01
    24   1     0.18   0.03  -0.11    -0.06  -0.01   0.04    -0.03  -0.01   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.3402              1388.4756              1403.6213
 Red. masses --      1.2083                 1.3584                 1.4155
 Frc consts  --      1.3310                 1.5430                 1.6431
 IR Inten    --      5.4749                24.7013                 3.4643
 RamAct Fr= 1--      0.6698                 3.2573                 4.1446
  Dep-P Fr= 1--      0.5465                 0.7000                 0.7482
  Dep-U Fr= 1--      0.7068                 0.8235                 0.8559
 Alpha2 Fr= 1--      0.0026                 0.0028                 0.0001
 Beta2  Fr= 1--      0.0789                 0.4471                 0.5913
 AlphaG Fr= 1--      0.0002                 0.0022                 0.0012
 Gamma2 Fr= 1--      0.5851                -1.5509                 1.3674
 Delta2 Fr= 1--      0.2859                -0.7738                -0.2035
 Raman1 Fr= 1--       2.679                 13.029                 16.578
 ROA1   Fr= 1--      65.319               -173.645                124.764
 CID1   Fr= 1--      24.379                -13.327                  7.526
 Raman2 Fr= 1--       0.947                  5.365                  7.095
 ROA2   Fr= 1--      11.755                -31.031                 34.447
 CID2   Fr= 1--      12.416                 -5.784                  4.855
 Raman3 Fr= 1--       1.894                 10.730                 14.190
 ROA3   Fr= 1--      65.319               -173.645                124.764
 CID3   Fr= 1--      34.494                -16.183                  8.792
 RC180  Fr= 1--       0.414                  0.647                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.02  -0.01     0.01  -0.02   0.01
     2   6     0.04  -0.00  -0.02     0.02   0.07  -0.02    -0.03   0.09  -0.02
     3   6    -0.07  -0.01  -0.01     0.00  -0.04  -0.02     0.05  -0.01   0.00
     4   6    -0.00  -0.03   0.02     0.05  -0.02  -0.01    -0.08   0.01   0.01
     5   8    -0.00   0.01   0.00    -0.00   0.02  -0.01    -0.00   0.01   0.01
     6   6     0.00  -0.01   0.01     0.02  -0.06   0.07     0.04  -0.09   0.04
     7   8     0.01   0.01   0.03     0.00   0.00   0.01    -0.01  -0.01  -0.01
     8   1    -0.06  -0.44  -0.09     0.14  -0.23  -0.03    -0.04   0.08   0.02
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00     0.00  -0.01  -0.00
    10   1    -0.25   0.01  -0.04     0.04  -0.35  -0.03     0.26  -0.39  -0.01
    11   1     0.66   0.17  -0.01     0.04   0.17  -0.02    -0.22  -0.01   0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.01   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03  -0.00    -0.07  -0.03   0.01     0.05   0.03  -0.01
    14   1     0.09   0.13   0.02    -0.32   0.11  -0.02     0.41  -0.02   0.03
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.04    -0.01   0.00  -0.01
    16   1    -0.07   0.02   0.01    -0.28   0.08   0.06    -0.29   0.38   0.03
    17   1    -0.01  -0.17  -0.10    -0.00  -0.08  -0.05     0.00   0.05   0.03
    18   1    -0.07   0.04  -0.04    -0.10   0.07  -0.07    -0.07   0.05  -0.05
    19   1     0.02   0.01  -0.01     0.14   0.07  -0.06     0.07   0.04  -0.04
    20   8     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.01  -0.02  -0.01
    21   1    -0.09   0.02  -0.03     0.03  -0.03   0.03     0.02   0.04  -0.06
    22   1    -0.33  -0.06   0.02     0.48   0.04  -0.02    -0.35  -0.01   0.01
    23   1     0.05   0.05  -0.00     0.27   0.27  -0.02     0.14   0.15  -0.01
    24   1    -0.18  -0.04   0.10     0.27   0.06  -0.13    -0.27  -0.06   0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.4196              1430.1880              1436.9663
 Red. masses --      1.6478                 1.2686                 1.5223
 Frc consts  --      1.9643                 1.5288                 1.8520
 IR Inten    --      4.7108                42.3640                 4.6173
 RamAct Fr= 1--      5.3400                 1.7631                 2.1473
  Dep-P Fr= 1--      0.6815                 0.7129                 0.5175
  Dep-U Fr= 1--      0.8106                 0.8324                 0.6821
 Alpha2 Fr= 1--      0.0064                 0.0011                 0.0097
 Beta2  Fr= 1--      0.7215                 0.2446                 0.2441
 AlphaG Fr= 1--     -0.0185                 0.0131                 0.0278
 Gamma2 Fr= 1--     -0.4304                 0.0290                 0.2398
 Delta2 Fr= 1--     -0.1486                 0.2683                 0.0590
 Raman1 Fr= 1--      21.360                  7.052                  8.589
 ROA1   Fr= 1--     -46.074                 11.373                 24.909
 CID1   Fr= 1--      -2.157                  1.613                  2.900
 Raman2 Fr= 1--       8.657                  2.935                  2.929
 ROA2   Fr= 1--      -9.141                 -1.450                  5.283
 CID2   Fr= 1--      -1.056                 -0.494                  1.804
 Raman3 Fr= 1--      17.315                  5.870                  5.858
 ROA3   Fr= 1--     -46.074                 11.373                 24.909
 CID3   Fr= 1--      -2.661                  1.937                  4.252
 RC180  Fr= 1--       0.621                  0.665                  0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.05   0.02    -0.05   0.03   0.00     0.10   0.01   0.01
     2   6    -0.13  -0.04  -0.02     0.02   0.04  -0.02    -0.03  -0.01  -0.00
     3   6    -0.07   0.06  -0.00     0.02  -0.00  -0.00    -0.03  -0.14   0.00
     4   6     0.05  -0.06   0.01     0.02   0.01  -0.00    -0.01   0.10  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.02  -0.04   0.00    -0.06  -0.08  -0.04    -0.01  -0.01  -0.02
     7   8    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.35  -0.27  -0.02     0.11  -0.25  -0.02    -0.30   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.60   0.04   0.04    -0.03  -0.07  -0.03     0.07   0.03   0.01
    11   1     0.18  -0.20  -0.01    -0.11   0.00  -0.00     0.27   0.50   0.01
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.02   0.02
    13   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.02  -0.00
    14   1    -0.14   0.21   0.00    -0.08  -0.04  -0.01     0.00  -0.39  -0.00
    15   8     0.00   0.01   0.00     0.02   0.02   0.05     0.01   0.01   0.01
    16   1    -0.09   0.24  -0.01     0.50   0.65  -0.06     0.11   0.13  -0.02
    17   1     0.01   0.14   0.09    -0.00  -0.12  -0.07     0.01   0.26   0.14
    18   1     0.20  -0.13   0.13    -0.05   0.03  -0.04     0.01  -0.01   0.01
    19   1    -0.17  -0.09   0.08    -0.00  -0.00   0.00     0.30   0.15  -0.14
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.10  -0.02   0.04    -0.10  -0.02   0.02     0.29   0.02  -0.04
    22   1     0.05  -0.04   0.00    -0.00   0.02  -0.00     0.12   0.07  -0.01
    23   1    -0.02  -0.02   0.00    -0.28  -0.27   0.03    -0.08  -0.09   0.01
    24   1     0.08   0.02  -0.04     0.12   0.03  -0.06    -0.03  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1444.9234              1450.0553              1515.6148
 Red. masses --      1.5176                 1.3562                 1.0892
 Frc consts  --      1.8668                 1.6801                 1.4742
 IR Inten    --      4.6049                99.4391                 1.1354
 RamAct Fr= 1--      3.3421                 2.9583                 4.6507
  Dep-P Fr= 1--      0.5655                 0.3132                 0.7269
  Dep-U Fr= 1--      0.7225                 0.4771                 0.8418
 Alpha2 Fr= 1--      0.0117                 0.0292                 0.0018
 Beta2  Fr= 1--      0.4024                 0.2352                 0.6525
 AlphaG Fr= 1--      0.0072                 0.0309                -0.0011
 Gamma2 Fr= 1--      0.4697                -0.7573                -0.2538
 Delta2 Fr= 1--      0.3185                -0.4241                -0.0175
 Raman1 Fr= 1--      13.368                 11.833                 18.603
 ROA1   Fr= 1--      55.285                -86.275                -24.924
 CID1   Fr= 1--       4.136                 -7.291                 -1.340
 Raman2 Fr= 1--       4.829                  2.823                  7.830
 ROA2   Fr= 1--       8.725                -14.783                 -5.951
 CID2   Fr= 1--       1.807                 -5.237                 -0.760
 Raman3 Fr= 1--       9.658                  5.645                 15.661
 ROA3   Fr= 1--      55.285                -86.275                -24.924
 CID3   Fr= 1--       5.724                -15.283                 -1.592
 RC180  Fr= 1--       0.445                 -0.046                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.11  -0.01    -0.01   0.03   0.00    -0.00   0.00   0.00
     2   6     0.05   0.09   0.01    -0.02  -0.03   0.00    -0.00  -0.00  -0.00
     3   6    -0.09   0.06   0.01     0.03  -0.05  -0.00     0.01  -0.01  -0.00
     4   6     0.02  -0.02   0.00    -0.07   0.02  -0.01    -0.01   0.01  -0.00
     5   8    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.01  -0.03   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
     7   8    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.21   0.56   0.04     0.01  -0.10  -0.01     0.01  -0.01   0.00
     9   8    -0.01  -0.03   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    10   1    -0.25  -0.24  -0.03     0.09   0.08   0.01     0.00   0.00   0.00
    11   1     0.34  -0.13   0.00    -0.05   0.14   0.00    -0.03   0.04  -0.00
    12   8     0.02  -0.01  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    13   6     0.03  -0.03  -0.01     0.09  -0.07  -0.01    -0.01   0.06  -0.05
    14   1    -0.04   0.05   0.00     0.21  -0.07  -0.00     0.04  -0.04  -0.00
    15   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.08   0.11   0.00    -0.11  -0.09   0.00     0.00   0.00   0.00
    17   1     0.01   0.20   0.12     0.00  -0.02  -0.01    -0.00   0.00   0.00
    18   1    -0.22   0.14  -0.13     0.08  -0.05   0.04     0.00  -0.00   0.00
    19   1    -0.11  -0.06   0.06     0.16   0.08  -0.06     0.02   0.01  -0.01
    20   8    -0.02   0.02   0.01    -0.04   0.05   0.02     0.00   0.00  -0.00
    21   1    -0.23  -0.08   0.10    -0.52  -0.16   0.12     0.01  -0.13   0.70
    22   1    -0.07  -0.02  -0.00    -0.24   0.08  -0.02     0.06  -0.69   0.04
    23   1    -0.01  -0.00   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
    24   1     0.26   0.07  -0.13     0.58   0.15  -0.29    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2976.0150              2979.0203              2987.5053
 Red. masses --      1.0811                 1.0725                 1.0800
 Frc consts  --      5.6414                 5.6080                 5.6795
 IR Inten    --      7.2280                31.0814                 2.4421
 RamAct Fr= 1--     62.6193               133.0598               182.6876
  Dep-P Fr= 1--      0.1534                 0.1121                 0.1447
  Dep-U Fr= 1--      0.2659                 0.2016                 0.2529
 Alpha2 Fr= 1--      0.9598                 2.2615                 2.8621
 Beta2  Fr= 1--      2.7756                 4.4703                 7.6993
 AlphaG Fr= 1--      0.1045                 0.7320                 0.1685
 Gamma2 Fr= 1--      1.4090                 4.6905                -2.7200
 Delta2 Fr= 1--     -0.3299                 2.7540                -1.0147
 Raman1 Fr= 1--     250.477                532.239                730.750
 ROA1   Fr= 1--     124.706                538.419               -293.592
 CID1   Fr= 1--       0.498                  1.012                 -0.402
 Raman2 Fr= 1--      33.307                 53.643                 92.391
 ROA2   Fr= 1--      36.455                 90.540                -57.163
 CID2   Fr= 1--       1.095                  1.688                 -0.619
 Raman3 Fr= 1--      66.613                107.287                184.783
 ROA3   Fr= 1--     124.706                538.419               -293.592
 CID3   Fr= 1--       1.872                  5.019                 -1.589
 RC180  Fr= 1--      -0.468                 -0.597                 -0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00   0.00  -0.01     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.01     0.00  -0.00   0.03    -0.00   0.00   0.03
     5   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00   0.02  -0.24    -0.00  -0.01   0.09     0.01   0.05  -0.59
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.07  -0.03   0.92    -0.01  -0.00   0.13    -0.00  -0.00   0.05
    11   1    -0.00   0.00  -0.18    -0.00   0.00  -0.13     0.00  -0.01   0.72
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.01    -0.01   0.00  -0.07    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.13     0.01   0.00  -0.32     0.01   0.00  -0.33
    15   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.16    -0.00   0.00  -0.02    -0.00   0.00   0.10
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.01   0.00     0.01  -0.15  -0.05     0.00   0.00   0.00
    22   1    -0.00  -0.01  -0.10     0.02   0.10   0.90     0.00   0.00   0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.5604              3007.4540              3018.5284
 Red. masses --      1.0825                 1.0849                 1.0863
 Frc consts  --      5.7191                 5.7815                 5.8318
 IR Inten    --      2.1779                27.6451               130.2110
 RamAct Fr= 1--     12.8341                33.2672                45.9123
  Dep-P Fr= 1--      0.3747                 0.1515                 0.1776
  Dep-U Fr= 1--      0.5451                 0.2632                 0.3017
 Alpha2 Fr= 1--      0.1038                 0.5123                 0.6612
 Beta2  Fr= 1--      1.1659                 1.4592                 2.3085
 AlphaG Fr= 1--      0.0353                -0.5120                -0.5888
 Gamma2 Fr= 1--     -0.6190                 2.3496                -3.6881
 Delta2 Fr= 1--     -2.6453                 2.7222                -0.0487
 Raman1 Fr= 1--      51.336                133.069                183.649
 ROA1   Fr= 1--    -144.075                312.674               -355.617
 CID1   Fr= 1--      -2.806                  2.350                 -1.936
 Raman2 Fr= 1--      13.991                 17.511                 27.702
 ROA2   Fr= 1--       6.305                 34.613                -88.126
 CID2   Fr= 1--       0.451                  1.977                 -3.181
 Raman3 Fr= 1--      27.983                 35.022                 55.403
 ROA3   Fr= 1--    -144.075                312.674               -355.617
 CID3   Fr= 1--      -5.149                  8.928                 -6.419
 RC180  Fr= 1--       0.090                 -0.474                 -0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.05    -0.00  -0.00   0.02     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02     0.00  -0.00   0.04    -0.00   0.00  -0.03
     4   6     0.00  -0.00  -0.05    -0.00   0.00   0.04     0.00   0.00  -0.03
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.00  -0.06
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.59    -0.00   0.02  -0.27    -0.01  -0.04   0.39
     9   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.23     0.00   0.00  -0.02    -0.02  -0.01   0.26
    11   1    -0.01   0.01  -0.22    -0.00   0.01  -0.52     0.01  -0.00   0.32
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    14   1    -0.02  -0.01   0.65     0.01  -0.00  -0.50    -0.02  -0.00   0.30
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.18    -0.01   0.01   0.60    -0.01   0.02   0.75
    17   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.08  -0.03    -0.00   0.07   0.02     0.00  -0.04  -0.01
    22   1     0.01   0.03   0.28    -0.01  -0.02  -0.20     0.01   0.01   0.09
    23   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3092.0572              3736.4656              3760.0278
 Red. masses --      1.0924                 1.0659                 1.0650
 Frc consts  --      6.1535                 8.7680                 8.8709
 IR Inten    --     24.3998               119.5738                38.4894
 RamAct Fr= 1--     97.4317                59.0943                76.1552
  Dep-P Fr= 1--      0.2862                 0.0929                 0.1404
  Dep-U Fr= 1--      0.4450                 0.1700                 0.2463
 Alpha2 Fr= 1--      1.0410                 1.0528                 1.2061
 Beta2  Fr= 1--      7.2265                 1.6740                 3.1261
 AlphaG Fr= 1--     -0.6915                -0.0951                -0.2064
 Gamma2 Fr= 1--     -5.8996                -1.2785                -2.7714
 Delta2 Fr= 1--     -2.2249                -0.4086                -1.0285
 Raman1 Fr= 1--     389.727                236.377                304.621
 ROA1   Fr= 1--    -637.559               -135.814               -298.968
 CID1   Fr= 1--      -1.636                 -0.575                 -0.981
 Raman2 Fr= 1--      86.719                 20.088                 37.513
 ROA2   Fr= 1--    -123.792                -27.415                -58.285
 CID2   Fr= 1--      -1.428                 -1.365                 -1.554
 Raman3 Fr= 1--     173.437                 40.176                 75.027
 ROA3   Fr= 1--    -637.559               -135.814               -298.968
 CID3   Fr= 1--      -3.676                 -3.380                 -3.985
 RC180  Fr= 1--      -0.110                 -0.660                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.04   0.01
    19   1     0.00  -0.00  -0.00    -0.03   0.09   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.16     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3655              3779.8882              3792.9608
 Red. masses --      1.0658                 1.0658                 1.0660
 Frc consts  --      8.9602                 8.9720                 9.0360
 IR Inten    --     45.7416                49.4016                60.3985
 RamAct Fr= 1--     64.9713                77.3805                88.9970
  Dep-P Fr= 1--      0.1583                 0.1899                 0.1625
  Dep-U Fr= 1--      0.2733                 0.3192                 0.2795
 Alpha2 Fr= 1--      0.9835                 1.0791                 1.3328
 Beta2  Fr= 1--      2.9592                 4.1170                 4.1459
 AlphaG Fr= 1--     -0.4256                -0.3518                 0.4828
 Gamma2 Fr= 1--     -1.9440                 0.6260                 2.1469
 Delta2 Fr= 1--      1.1847                 2.1840                -0.5216
 Raman1 Fr= 1--     259.885                309.522                355.988
 ROA1   Fr= 1--    -148.710                129.983                189.410
 CID1   Fr= 1--      -0.572                  0.420                  0.532
 Raman2 Fr= 1--      35.511                 49.404                 49.751
 ROA2   Fr= 1--     -56.133                 -2.449                 55.699
 CID2   Fr= 1--      -1.581                 -0.050                  1.120
 Raman3 Fr= 1--      71.022                 98.808                 99.502
 ROA3   Fr= 1--    -148.710                129.983                189.410
 CID3   Fr= 1--      -2.094                  1.316                  1.904
 RC180  Fr= 1--      -0.453                 -0.362                 -0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.01   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1    -0.00  -0.00   0.00     0.66   0.73  -0.15     0.02   0.02  -0.01
    19   1    -0.29   0.92   0.22    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.10  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673832454.181313661.00849
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     517141.2 (Joules/Mol)
                                  123.59972 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     97.63   153.77   170.52   236.73   301.94
          (Kelvin)            332.60   358.12   408.01   427.25   475.28
                              486.02   535.68   565.68   573.06   581.31
                              605.62   642.19   689.12   720.36   793.27
                              860.82   891.98   958.15  1294.35  1435.48
                             1453.70  1472.46  1509.95  1553.43  1568.83
                             1581.63  1588.58  1603.18  1610.14  1634.72
                             1670.01  1710.91  1767.29  1797.65  1833.12
                             1842.39  1880.47  1924.15  1937.21  1948.85
                             1967.30  1997.71  2019.50  2046.54  2057.72
                             2067.47  2078.92  2086.31  2180.63  4281.82
                             4286.15  4298.35  4308.50  4327.06  4342.99
                             4448.78  5375.94  5409.84  5434.79  5438.42
                             5457.22
 
 Zero-point correction=                           0.196969 (Hartree/Particle)
 Thermal correction to Energy=                    0.209276
 Thermal correction to Enthalpy=                  0.210221
 Thermal correction to Gibbs Free Energy=         0.159487
 Sum of electronic and zero-point Energies=           -687.312263
 Sum of electronic and thermal Energies=              -687.299956
 Sum of electronic and thermal Enthalpies=            -687.299012
 Sum of electronic and thermal Free Energies=         -687.349745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.323             47.395            106.779
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.546             41.433             34.415
 Vibration     1          0.598              1.970              4.215
 Vibration     2          0.606              1.944              3.325
 Vibration     3          0.609              1.934              3.124
 Vibration     4          0.623              1.886              2.497
 Vibration     5          0.642              1.826              2.045
 Vibration     6          0.653              1.793              1.870
 Vibration     7          0.662              1.765              1.738
 Vibration     8          0.682              1.704              1.512
 Vibration     9          0.691              1.679              1.434
 Vibration    10          0.713              1.615              1.258
 Vibration    11          0.718              1.600              1.223
 Vibration    12          0.744              1.529              1.070
 Vibration    13          0.760              1.485              0.988
 Vibration    14          0.765              1.474              0.969
 Vibration    15          0.769              1.461              0.948
 Vibration    16          0.783              1.425              0.889
 Vibration    17          0.806              1.369              0.807
 Vibration    18          0.835              1.297              0.713
 Vibration    19          0.856              1.249              0.656
 Vibration    20          0.907              1.137              0.541
 Vibration    21          0.956              1.035              0.453
 Vibration    22          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.437799D-73        -73.358726       -168.914708
 Total V=0       0.173981D+18         17.240501         39.697720
 Vib (Bot)       0.366157D-87        -87.436332       -201.329595
 Vib (Bot)    1  0.304036D+01          0.482925          1.111975
 Vib (Bot)    2  0.191756D+01          0.282749          0.651054
 Vib (Bot)    3  0.172489D+01          0.236761          0.545163
 Vib (Bot)    4  0.122694D+01          0.088824          0.204525
 Vib (Bot)    5  0.946486D+00         -0.023886         -0.054999
 Vib (Bot)    6  0.851576D+00         -0.069777         -0.160667
 Vib (Bot)    7  0.784521D+00         -0.105395         -0.242682
 Vib (Bot)    8  0.676684D+00         -0.169614         -0.390551
 Vib (Bot)    9  0.641523D+00         -0.192788         -0.443911
 Vib (Bot)   10  0.565501D+00         -0.247567         -0.570044
 Vib (Bot)   11  0.550452D+00         -0.259281         -0.597016
 Vib (Bot)   12  0.488218D+00         -0.311386         -0.716993
 Vib (Bot)   13  0.455586D+00         -0.341430         -0.786172
 Vib (Bot)   14  0.448058D+00         -0.348666         -0.802833
 Vib (Bot)   15  0.439843D+00         -0.356703         -0.821338
 Vib (Bot)   16  0.416851D+00         -0.380019         -0.875027
 Vib (Bot)   17  0.385339D+00         -0.414157         -0.953631
 Vib (Bot)   18  0.349494D+00         -0.456561         -1.051270
 Vib (Bot)   19  0.328066D+00         -0.484038         -1.114539
 Vib (Bot)   20  0.284262D+00         -0.546281         -1.257859
 Vib (Bot)   21  0.250008D+00         -0.602045         -1.386261
 Vib (Bot)   22  0.235897D+00         -0.627278         -1.444360
 Vib (V=0)       0.145510D+04          3.162894          7.282832
 Vib (V=0)    1  0.358120D+01          0.554028          1.275697
 Vib (V=0)    2  0.248168D+01          0.394745          0.908934
 Vib (V=0)    3  0.229590D+01          0.360952          0.831124
 Vib (V=0)    4  0.182491D+01          0.261242          0.601531
 Vib (V=0)    5  0.157044D+01          0.196021          0.451354
 Vib (V=0)    6  0.148751D+01          0.172461          0.397105
 Vib (V=0)    7  0.143031D+01          0.155430          0.357890
 Vib (V=0)    8  0.134137D+01          0.127548          0.293690
 Vib (V=0)    9  0.131336D+01          0.118383          0.272587
 Vib (V=0)   10  0.125485D+01          0.098590          0.227012
 Vib (V=0)   11  0.124364D+01          0.094694          0.218041
 Vib (V=0)   12  0.119883D+01          0.078756          0.181342
 Vib (V=0)   13  0.117643D+01          0.070566          0.162485
 Vib (V=0)   14  0.117138D+01          0.068699          0.158185
 Vib (V=0)   15  0.116593D+01          0.066672          0.153518
 Vib (V=0)   16  0.115097D+01          0.061065          0.140607
 Vib (V=0)   17  0.113126D+01          0.053562          0.123330
 Vib (V=0)   18  0.111004D+01          0.045338          0.104394
 Vib (V=0)   19  0.109802D+01          0.040610          0.093508
 Vib (V=0)   20  0.107516D+01          0.031472          0.072466
 Vib (V=0)   21  0.105902D+01          0.024904          0.057345
 Vib (V=0)   22  0.105285D+01          0.022368          0.051504
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   0009999                                    544444433333322221111110000009  9    6655544443333322222 111   
   98763                   9109877                                    154332086543087428631109984219  0    6295074209973398431 6106  
   30706                   2975896                                    605702487567714989169449009308  0    6081196148328074910 5978  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X    XXXXXXXXXXXXXXXXXXX XXXX  
   XXXXX                   XXX  X                                      X  X  X  XX XX   X XXXXX XXXX       X  XX X XX X X X          
   XXXXX                    XX  X                                      X  X     XX X    X XXXXX X XX          XX   XX X X            
   XXXXX                    X                                          X  X        X    X XXXXX   XX           X   XX X X            
   XX  X                    X                                          X           X      XXXXX    X           X   XX X X            
   X   X                    X                                          X           X      XXXXX    X           X   XX X              
       X                    X                                          X           X      X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
                            X                                                             X  XX    X           X   X                 
                                                                                             XX                X   X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010123    0.000039524    0.000009867
      2        6          -0.000043983    0.000004406   -0.000021617
      3        6           0.000012114   -0.000013939   -0.000005191
      4        6           0.000044431    0.000051519   -0.000012009
      5        8          -0.000062337   -0.000030079    0.000007063
      6        6           0.000053374   -0.000000236    0.000015720
      7        8           0.000003876   -0.000020702   -0.000011640
      8        1          -0.000000883   -0.000001263   -0.000008741
      9        8           0.000027652   -0.000011234    0.000007127
     10        1           0.000001535   -0.000001794    0.000007019
     11        1          -0.000003177    0.000003701    0.000004390
     12        8          -0.000009518   -0.000005354   -0.000004296
     13        6           0.000000173   -0.000002943   -0.000000821
     14        1          -0.000004902   -0.000006538    0.000004942
     15        8          -0.000020858   -0.000013476    0.000008050
     16        1          -0.000001748   -0.000003312   -0.000002872
     17        1           0.000001416   -0.000003521   -0.000001196
     18        1           0.000001339   -0.000000168    0.000000083
     19        1           0.000001935   -0.000000762    0.000001211
     20        8          -0.000001702    0.000003951   -0.000000599
     21        1           0.000002953    0.000001151    0.000003038
     22        1           0.000002687    0.000005495   -0.000000024
     23        1           0.000004179    0.000001510   -0.000005942
     24        1           0.000001566    0.000004065    0.000006439
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062337 RMS     0.000016714
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.116187D+03  0.102008D+01 -0.298449D+00
      2   0.102008D+01  0.103977D+03 -0.170784D+01
      3  -0.298449D+00 -0.170784D+01  0.869500D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.185319D+01 -0.442843D+01  0.607561D+01
      2  -0.337407D+01 -0.292782D+00  0.480886D+01
      3  -0.630690D+01 -0.969059D+01  0.158958D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.300164D+02 -0.126833D+02 -0.165555D+02
      2  -0.240251D+02  0.137128D+02  0.112518D+02
      3  -0.599128D+01 -0.102955D+01  0.530366D+01
      4  -0.211062D+02 -0.977590D+01 -0.129310D+01
      5  -0.734483D+01 -0.290648D+01  0.736825D+01
      6  -0.144747D+00  0.136482D+02 -0.115044D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.242058D+01  0.183501D+01 -0.537219D+00  0.114591D+01  0.190766D+01
      2   0.183501D+01  0.197989D+01  0.192894D+00  0.190766D+01 -0.322970D+01
      3  -0.537219D+00  0.192894D+00 -0.522868D+00  0.285595D+00 -0.873129D+00
                 6             7             8             9            10 
      1   0.285595D+00 -0.792216D+00  0.413031D+00 -0.465407D+00  0.282863D+01
      2  -0.873129D+00  0.413031D+00 -0.179573D+01 -0.449415D+00 -0.154353D+01
      3   0.516892D+00 -0.465407D+00 -0.449415D+00  0.824292D+01  0.863917D+00
                11            12            13            14            15 
      1  -0.154353D+01  0.863917D+00 -0.213742D+01 -0.188129D+01 -0.463958D+00
      2  -0.121574D+01 -0.234364D+00 -0.188129D+01  0.167891D+01  0.517755D+00
      3  -0.234364D+00 -0.948411D+00 -0.463958D+00  0.517755D+00  0.116905D+01
                16            17            18            19            20 
      1   0.160326D+01 -0.723582D+00  0.177774D+00  0.116384D+01 -0.192444D+01
      2  -0.723582D+00  0.895640D+00  0.561245D+00 -0.192444D+01 -0.178640D+01
      3   0.177774D+00  0.561245D+00 -0.868127D+01  0.630137D+00  0.145886D+00
                21            22            23            24            25 
      1   0.630137D+00 -0.319105D+01 -0.252576D+01  0.952021D-01  0.148148D+01
      2   0.145886D+00 -0.252576D+01  0.210064D+01  0.642086D+00  0.280779D+00
      3   0.734437D+00  0.952021D-01  0.642086D+00  0.113764D+01  0.194958D+00
                26            27            28            29            30 
      1   0.280779D+00  0.194958D+00  0.348757D+00  0.304281D+01 -0.897178D+00
      2   0.142080D+01  0.648503D+00  0.304281D+01  0.145431D+01  0.570215D-02
      3   0.648503D+00 -0.785675D+01 -0.897178D+00  0.570215D-02 -0.913373D+00
                31            32            33            34            35 
      1   0.338664D+01  0.251743D+01  0.609572D-02 -0.102797D+01  0.179178D+00
      2   0.251743D+01 -0.313943D+01 -0.736902D+00  0.179178D+00 -0.136735D+01
      3   0.609572D-02 -0.736902D+00 -0.673911D+00 -0.432553D+00 -0.832738D-01
                36            37            38            39            40 
      1  -0.432553D+00  0.186645D+01 -0.270151D+01  0.487684D+00 -0.407909D+01
      2  -0.832738D-01 -0.270151D+01 -0.263439D+00 -0.500766D+00 -0.831490D+00
      3   0.839255D+01  0.487684D+00 -0.500766D+00  0.359502D-01 -0.975003D-01
                41            42            43            44            45 
      1  -0.831490D+00 -0.975003D-01  0.278916D+01  0.169629D+00  0.207485D+00
      2  -0.318162D+01  0.915174D+00  0.169629D+00  0.128316D+01 -0.683706D+00
      3   0.915174D+00  0.524295D+00  0.207485D+00 -0.683706D+00 -0.135127D+01
                46            47            48            49            50 
      1  -0.380563D+01  0.407427D+00 -0.109186D+00  0.280735D+01  0.172758D+01
      2   0.407427D+00  0.172099D+01  0.881742D+00  0.172758D+01 -0.165217D+01
      3  -0.109186D+00  0.881742D+00 -0.469707D+00  0.511066D-01 -0.418834D+00
                51            52            53            54            55 
      1   0.511066D-01 -0.127083D+01  0.339793D+00  0.320441D-01  0.422149D+01
      2  -0.418834D+00  0.339793D+00 -0.128615D+01 -0.119432D+00 -0.810611D+00
      3  -0.207859D+01  0.320441D-01 -0.119432D+00  0.864271D+01  0.124351D+01
                56            57            58            59            60 
      1  -0.810611D+00  0.124351D+01 -0.215031D+00 -0.109058D+00 -0.260253D+00
      2   0.174888D+01 -0.117036D+00 -0.109058D+00  0.752490D+01  0.119024D+01
      3  -0.117036D+00  0.913301D+00 -0.260253D+00  0.119024D+01 -0.157677D+00
                61            62            63            64            65 
      1   0.200403D+01 -0.876344D+00  0.604244D-01  0.436614D+00 -0.328780D+00
      2  -0.876344D+00  0.317495D+01  0.143625D+01 -0.328780D+00 -0.337416D+00
      3   0.604244D-01  0.143625D+01  0.271486D+00 -0.881718D+00 -0.223017D-01
                66            67            68            69            70 
      1  -0.881718D+00 -0.200315D+00 -0.329916D+00 -0.456024D-02 -0.176270D+01
      2  -0.223017D-01 -0.329916D+00  0.749058D+00 -0.102553D+01  0.124125D+00
      3   0.171606D+00 -0.456024D-02 -0.102553D+01  0.329736D+00 -0.237169D-01
                71            72            73            74            75 
      1   0.124125D+00 -0.237169D-01 -0.381458D+01  0.316615D+01 -0.949645D+00
      2  -0.194131D+01  0.786137D+00  0.316615D+01  0.768861D+00 -0.142204D+00
      3   0.786137D+00 -0.741404D+01 -0.949645D+00 -0.142204D+00  0.900051D+00
                76            77            78            79            80 
      1   0.621669D+01 -0.407542D+00  0.291929D+00 -0.298227D+01  0.243771D+00
      2  -0.407542D+00  0.346027D+01 -0.879895D+00  0.243771D+00 -0.118408D+01
      3   0.291929D+00 -0.879895D+00  0.697154D+00 -0.121563D+01  0.417198D+00
                81            82            83            84            85 
      1  -0.121563D+01 -0.671201D+00  0.344984D+00  0.995326D+00  0.228021D+00
      2   0.417198D+00  0.344984D+00  0.252057D+00  0.526041D-01  0.240554D+00
      3  -0.212834D+00  0.995326D+00  0.526041D-01 -0.269414D+00  0.840471D-01
                86            87            88            89            90 
      1   0.240554D+00  0.840471D-01  0.208139D+01  0.125898D+00 -0.741430D+00
      2  -0.488785D+00  0.101643D+01  0.125898D+00  0.163293D+01 -0.312603D+00
      3   0.101643D+01 -0.596749D+00 -0.741430D+00 -0.312603D+00  0.761672D+01
                91            92            93            94            95 
      1  -0.252518D+00  0.204802D+00  0.974517D+00  0.281755D+00  0.443330D+00
      2   0.204802D+00  0.425483D+00  0.461791D-01  0.443330D+00 -0.391492D+00
      3   0.974517D+00  0.461791D-01 -0.767614D-01  0.690647D-01  0.854219D+00
                96            97            98            99           100 
      1   0.690647D-01  0.192100D+01 -0.485914D-02  0.286717D+00  0.600034D+01
      2   0.854219D+00 -0.485914D-02  0.171551D+01  0.142990D+00  0.188318D+01
      3  -0.298462D+00  0.286717D+00  0.142990D+00  0.728000D+01 -0.721196D+00
               101           102           103           104           105 
      1   0.188318D+01 -0.721196D+00  0.754272D+00  0.302021D+01  0.213586D+00
      2   0.356774D+01  0.183419D+00  0.302021D+01 -0.274085D+01 -0.898383D+00
      3   0.183419D+00  0.133183D-02  0.213586D+00 -0.898383D+00 -0.834491D+00
               106           107           108           109           110 
      1  -0.189166D+01 -0.393851D+00  0.989110D+00  0.120956D+01 -0.261026D+01
      2  -0.393851D+00 -0.212401D+01  0.463554D+00 -0.261026D+01  0.557227D+00
      3   0.989110D+00  0.463554D+00 -0.103876D+00  0.145660D+01 -0.400939D+00
               111           112           113           114           115 
      1   0.145660D+01 -0.262474D+01 -0.169494D+01  0.220834D-01  0.265194D+01
      2  -0.400939D+00 -0.169494D+01  0.652833D+01  0.122470D+01  0.552524D-01
      3   0.998866D+00  0.220834D-01  0.122470D+01 -0.349660D+00 -0.441101D-01
               116           117           118           119           120 
      1   0.552524D-01 -0.441101D-01  0.840774D+00 -0.586823D+00 -0.996030D+00
      2   0.125785D+01  0.875773D+00 -0.586823D+00 -0.611144D-01 -0.381010D-01
      3   0.875773D+00 -0.784989D+01 -0.996030D+00 -0.381010D-01  0.658113D+00
               121           122           123           124           125 
      1  -0.628976D+00 -0.910220D-01 -0.658069D-01 -0.248030D+01 -0.920325D-01
      2  -0.910220D-01  0.231336D+00 -0.939085D+00 -0.920325D-01 -0.140922D+01
      3  -0.658069D-01 -0.939085D+00 -0.875547D-01  0.892718D+00 -0.447237D+00
               126           127           128           129           130 
      1   0.892718D+00 -0.416535D+01 -0.241698D+01  0.982746D-01 -0.273636D+01
      2  -0.447237D+00 -0.241698D+01 -0.285756D+01 -0.139675D+00 -0.270709D+01
      3  -0.746479D+01  0.982746D-01 -0.139675D+00  0.765484D-01 -0.450024D+00
               131           132           133           134           135 
      1  -0.270709D+01 -0.450024D+00 -0.913054D+00 -0.935192D+00  0.746288D-01
      2  -0.516574D+01 -0.578960D+00 -0.935192D+00 -0.195952D+01  0.965815D+00
      3  -0.578960D+00  0.132529D+01  0.746288D-01  0.965815D+00 -0.532859D+01
               136           137           138           139           140 
      1   0.244686D-01 -0.370456D+00 -0.114334D+01 -0.409123D+00 -0.553010D+00
      2  -0.370456D+00 -0.418885D+00 -0.825681D-01 -0.553010D+00 -0.302006D+00
      3  -0.114334D+01 -0.825681D-01 -0.177931D+00  0.947370D-01 -0.923127D+00
               141           142           143           144           145 
      1   0.947370D-01 -0.227992D+01 -0.349873D+00 -0.975638D+00 -0.561662D+01
      2  -0.923127D+00 -0.349873D+00 -0.156271D+01 -0.113974D+01  0.301864D+01
      3  -0.952686D-01 -0.975638D+00 -0.113974D+01 -0.794520D+01 -0.486209D+00
               146           147           148           149           150 
      1   0.301864D+01 -0.486209D+00  0.222868D+01 -0.176093D+01  0.136200D+00
      2  -0.368658D+01  0.479661D-01 -0.176093D+01  0.254502D+01 -0.261919D+00
      3   0.479661D-01 -0.120334D+01  0.136200D+00 -0.261919D+00  0.732767D+00
               151           152           153           154           155 
      1  -0.119274D+01  0.542313D+00 -0.714216D+00 -0.651999D+01 -0.195545D+01
      2   0.542313D+00 -0.981118D+00  0.736930D+00 -0.195545D+01 -0.206846D+01
      3  -0.714216D+00  0.736930D+00 -0.140693D+00  0.127160D-02  0.259122D-01
               156           157           158           159           160 
      1   0.127160D-02 -0.445009D+01 -0.172646D+01 -0.180311D+00  0.798022D+00
      2   0.259122D-01 -0.172646D+01 -0.243568D+01  0.218484D+00  0.133414D+00
      3  -0.112560D+01 -0.180311D+00  0.218484D+00 -0.749726D+00 -0.932460D+00
               161           162           163           164           165 
      1   0.133414D+00 -0.932460D+00 -0.523379D+00  0.629642D+00  0.215941D+00
      2   0.409279D+00 -0.192404D+00  0.629642D+00 -0.976642D+00 -0.339413D-01
      3  -0.192404D+00 -0.700502D-01  0.215941D+00 -0.339413D-01  0.445326D-01
               166           167           168           169           170 
      1   0.231685D+01  0.521325D+00 -0.103123D+00  0.568213D+00 -0.485109D-01
      2   0.521325D+00  0.817907D+01  0.476367D+00 -0.485109D-01  0.122101D+01
      3  -0.103123D+00  0.476367D+00  0.126446D+01  0.235574D+00  0.912032D+00
               171           172           173           174           175 
      1   0.235574D+00  0.840525D+01  0.580794D+00 -0.131937D+01 -0.303732D+00
      2   0.912032D+00  0.580794D+00  0.869301D+00  0.235704D+00  0.258482D+01
      3   0.132267D+00 -0.131937D+01  0.235704D+00  0.248935D+00  0.293756D+00
               176           177           178           179           180 
      1   0.258482D+01  0.293756D+00 -0.282883D+01 -0.779605D-01  0.165830D+01
      2  -0.445419D+01 -0.518010D+00 -0.779605D-01 -0.617423D+00  0.580851D-03
      3  -0.518010D+00 -0.107130D+01  0.165830D+01  0.580851D-03 -0.571728D+00
               181           182           183           184           185 
      1   0.654129D+00 -0.105562D+01 -0.495760D+00 -0.235436D+01  0.226368D+01
      2  -0.105562D+01  0.572888D+00  0.766120D-01  0.226368D+01 -0.907146D+01
      3  -0.495760D+00  0.766120D-01  0.287464D+00  0.583768D-01 -0.689373D+00
               186           187           188           189           190 
      1   0.583768D-01 -0.115506D+01  0.376914D+00  0.447785D+00  0.407832D-01
      2  -0.689373D+00  0.376914D+00 -0.154279D+01 -0.119047D+01  0.250924D+00
      3  -0.104371D+01  0.447785D+00 -0.119047D+01  0.125206D+00  0.106945D+01
               191           192           193           194           195 
      1   0.250924D+00  0.106945D+01  0.829600D+00  0.222800D+00 -0.867436D-02
      2   0.344164D-01  0.378497D-01  0.222800D+00 -0.764753D+00  0.901139D+00
      3   0.378497D-01 -0.718248D-01 -0.867436D-02  0.901139D+00  0.465670D+00
               196           197           198           199           200 
      1   0.222393D+01 -0.291851D+00  0.914744D+00 -0.544062D+00 -0.245012D+00
      2  -0.291851D+00  0.147876D+01 -0.112991D+01 -0.245012D+00  0.621156D-01
      3   0.914744D+00 -0.112991D+01  0.860818D+01  0.377454D+00 -0.133754D+00
               201           202           203           204           205 
      1   0.377454D+00 -0.372259D+00 -0.319342D+00  0.228658D+00  0.212995D+01
      2  -0.133754D+00 -0.319342D+00 -0.151939D+01  0.861545D+00  0.994360D+00
      3   0.276568D+00  0.228658D+00  0.861545D+00 -0.124840D+01 -0.117316D+01
               206           207           208           209           210 
      1   0.994360D+00 -0.117316D+01  0.292836D+00  0.118510D+01  0.122764D+00
      2   0.297918D+01 -0.250901D+01  0.118510D+01 -0.341915D+00 -0.868209D-01
      3  -0.250901D+01  0.598715D+01  0.122764D+00 -0.868209D-01  0.431525D+00
               211           212           213           214           215 
      1   0.350678D+01 -0.511540D+00 -0.296228D+00  0.325179D+00 -0.184404D+00
      2  -0.511540D+00  0.553973D+01 -0.749978D-01 -0.184404D+00  0.302356D+00
      3  -0.296228D+00 -0.749978D-01  0.112255D+01  0.546060D+00  0.310191D+00
               216 
      1   0.546060D+00
      2   0.310191D+00
      3  -0.308224D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883783D+00  0.146576D+00 -0.455958D+00 -0.126568D+01  0.159376D+01
      2   0.845962D+00  0.199037D+00  0.133987D+01  0.561663D+00  0.134919D+01
      3  -0.747519D+00 -0.816849D-01 -0.640877D+00  0.460056D+01 -0.102157D+01
                 6             7             8             9            10 
      1   0.877202D+00  0.715953D+00  0.338036D+01 -0.824837D+01 -0.709376D+00
      2   0.317136D+00 -0.256981D+01 -0.203593D+00 -0.514497D+01 -0.174270D+01
      3   0.776252D-01 -0.300793D+00 -0.163304D+01 -0.914950D+00 -0.188444D+01
                11            12            13            14            15 
      1  -0.179246D+01 -0.787539D+00 -0.401331D+00 -0.166554D+01 -0.166449D+01
      2  -0.453758D+00  0.160609D+00  0.293803D+00 -0.101626D+01 -0.166112D+01
      3  -0.428228D+01 -0.372949D-01  0.140261D+01  0.220141D+01  0.190745D+01
                16            17            18            19            20 
      1  -0.110078D+01  0.197147D+01 -0.814224D+00 -0.148339D+01  0.375281D-01
      2  -0.301770D+01 -0.113818D+01  0.119781D+02 -0.372432D+00  0.927717D+00
      3  -0.825306D+00  0.161675D+01  0.112628D+01  0.174232D+01 -0.358291D+01
                21            22            23            24            25 
      1   0.665210D+00 -0.942165D+00 -0.134162D+01 -0.615378D+00  0.333793D+00
      2   0.532469D-01  0.528479D+00  0.674228D+00 -0.269998D+00 -0.389652D+01
      3  -0.303756D-01  0.202962D+01 -0.315951D+01 -0.132748D+01  0.146105D+01
                26            27            28            29            30 
      1   0.174695D+01  0.523747D+01 -0.151369D+01  0.565839D+00  0.121571D+01
      2   0.528042D+00 -0.446967D+01 -0.885741D+00  0.100975D+01 -0.241875D+01
      3  -0.644101D+00 -0.382386D+00 -0.515769D+01 -0.759846D+01  0.259689D+00
                31            32            33            34            35 
      1  -0.867192D+00  0.335036D+00 -0.224003D+00 -0.140983D+00  0.312923D+01
      2  -0.646094D+00 -0.743076D+00 -0.276361D+01 -0.515640D+01  0.618937D+00
      3  -0.370076D+01  0.519186D+01  0.173829D+01  0.657898D+00  0.419437D+00
                36            37            38            39            40 
      1   0.402202D+01  0.176567D+01 -0.581686D-01 -0.114737D+01  0.482522D+00
      2   0.135067D+02  0.439948D+00  0.820349D-01  0.105090D+02 -0.308551D+00
      3   0.502282D+00 -0.367084D+01 -0.167117D+01 -0.123618D+01  0.175138D+02
                41            42            43            44            45 
      1   0.756834D+00 -0.473159D+01  0.177492D+01  0.246301D+01 -0.690943D-01
      2  -0.140364D+00  0.491062D+00 -0.660596D+01 -0.133309D+01  0.118301D+01
      3   0.190628D+01  0.138941D-02 -0.426372D+01 -0.394826D+00 -0.293254D+00
                46            47            48            49            50 
      1  -0.138277D-01  0.182947D+00 -0.697046D+00 -0.814512D+00  0.409378D+00
      2   0.987014D+00  0.189677D+00 -0.419774D+01 -0.274316D-01  0.162664D+01
      3   0.664076D+01  0.389707D+01  0.502508D+00 -0.491237D+00 -0.110843D+01
                51            52            53            54            55 
      1  -0.106752D+01 -0.186261D+01  0.281862D+01  0.910436D+01 -0.380641D+01
      2   0.325249D+01 -0.408811D+01 -0.103432D+01 -0.140464D+02 -0.334449D+01
      3  -0.143132D+01  0.147510D+01 -0.196547D+01 -0.352340D+00  0.150711D+02
                56            57            58            59            60 
      1   0.143401D+01 -0.178621D+01  0.197943D+01 -0.342936D+01 -0.613179D+01
      2   0.255309D+01  0.960650D+00  0.690544D+00 -0.190069D+01 -0.513410D+00
      3  -0.479639D+01  0.251286D+01  0.429480D+01  0.836705D+01  0.260507D-01
                61            62            63            64            65 
      1  -0.882001D+00  0.146717D+01 -0.295777D+01  0.107545D+01 -0.456532D-01
      2  -0.441087D+01 -0.976295D-01 -0.101156D+01  0.101091D+01 -0.564363D+00
      3   0.626808D+01  0.186096D+01  0.144334D+01  0.369257D+00 -0.163615D+01
                66            67            68            69            70 
      1  -0.402288D+00  0.729358D-01  0.142071D+01 -0.562401D+00 -0.251621D+00
      2   0.996499D+00 -0.352773D+00  0.394446D+00  0.344552D-01 -0.406750D+01
      3  -0.897450D+00  0.602139D+00  0.126725D+00 -0.646283D+00 -0.251628D+01
                71            72            73            74            75 
      1   0.384684D+01  0.873532D+01 -0.101316D+01 -0.505644D-01  0.143993D+01
      2  -0.335233D+00  0.497191D+01  0.483252D+01  0.132297D+01  0.436985D+01
      3  -0.112998D+01  0.733523D+00  0.100487D+02 -0.166173D+00 -0.352123D+00
                76            77            78            79            80 
      1  -0.196102D+01 -0.518962D+00 -0.256187D+01  0.150227D+01  0.329447D+01
      2   0.115381D+01  0.258881D+01 -0.414184D+01 -0.145104D+01 -0.136474D+01
      3   0.724355D+01  0.165372D+02 -0.184567D+01 -0.180261D+00 -0.538272D+01
                81            82            83            84            85 
      1   0.474661D+00  0.134967D+00  0.338704D+00  0.217465D-01  0.682794D+00
      2   0.252647D+01 -0.200060D+01 -0.108088D+00  0.760465D+00  0.826164D-01
      3   0.582330D+00  0.664334D+00 -0.415350D+00  0.845171D-01  0.159624D+01
                86            87            88            89            90 
      1  -0.446648D+00 -0.165429D+01  0.379549D+00  0.421472D+01 -0.111491D+01
      2  -0.175658D+01  0.102486D+01 -0.351887D+01  0.340235D+00 -0.121786D+02
      3  -0.547312D+00  0.119370D+01  0.284983D+00  0.305563D+01 -0.142773D+00
                91            92            93            94            95 
      1  -0.872862D+00  0.223041D+00  0.485449D+00  0.167909D+00 -0.127862D+01
      2   0.141807D+01  0.299562D+00  0.325712D+00  0.667454D+00  0.146629D+00
      3  -0.311833D+00 -0.100162D+01  0.697461D+00  0.110686D+01  0.229679D+00
                96            97            98            99           100 
      1  -0.711602D+00 -0.385072D+00  0.429183D+01 -0.601760D+01  0.196118D+01
      2  -0.607968D+00 -0.471357D+01  0.311289D+00  0.453405D+01 -0.158788D+01
      3  -0.311855D+00  0.137096D+01 -0.119862D+01 -0.983855D-01  0.946563D+01
               101           102           103           104           105 
      1  -0.151950D+00 -0.226181D+01  0.824033D+00  0.421398D+01 -0.223900D+01
      2  -0.701232D+00  0.532453D+01  0.284074D+00 -0.154197D+01  0.932171D+00
      3  -0.109297D+02 -0.124807D+01 -0.183436D+01  0.130468D+02  0.231308D+01
               106           107           108           109           110 
      1  -0.141506D+01  0.367160D+01  0.159498D+01  0.125538D+01 -0.915591D-01
      2  -0.170589D+01  0.744348D+00 -0.126233D+01  0.178270D+01 -0.498948D+00
      3  -0.444414D+01  0.428536D+01  0.591289D+00  0.225889D+01  0.281715D+01
               111           112           113           114           115 
      1   0.209766D+01 -0.152280D+01  0.732338D+01 -0.111677D+01 -0.114800D+01
      2   0.717950D+00  0.189596D+00  0.297538D+01 -0.249132D+01 -0.415843D+01
      3  -0.743262D+00  0.111641D+02 -0.130970D+02 -0.311177D+01 -0.272300D+01
               116           117           118           119           120 
      1   0.277027D+01 -0.132008D+02 -0.304548D+00  0.153594D+00  0.590322D+00
      2   0.240232D+01 -0.170063D+02 -0.939462D+00 -0.374347D+00  0.185716D+01
      3  -0.368899D+01 -0.237660D+01  0.518310D+00 -0.849235D-01  0.823655D+00
               121           122           123           124           125 
      1  -0.301714D-01 -0.108519D+01 -0.676407D+00  0.293237D+00  0.369308D+01
      2   0.172969D-01 -0.121370D+01  0.100534D-01 -0.410033D+01 -0.478346D+00
      3   0.210468D+01 -0.991080D+00  0.135002D+01  0.214891D+01  0.241281D+01
               126           127           128           129           130 
      1  -0.376008D+01 -0.934707D-01 -0.817615D+00 -0.159231D+01  0.120068D+00
      2  -0.101638D+02 -0.376864D+00 -0.127417D+01  0.574386D+01  0.627481D+00
      3  -0.335809D+00  0.604942D+01 -0.657017D+01  0.621016D+00  0.636916D+01
               131           132           133           134           135 
      1  -0.821504D-01 -0.281583D+01  0.215817D+01  0.504311D+01 -0.138717D+02
      2   0.933723D+00 -0.117510D+01 -0.128431D+01 -0.317217D+01  0.115196D+02
      3  -0.569662D+01 -0.558960D+00  0.781558D+00 -0.115140D+01  0.236658D+01
               136           137           138           139           140 
      1  -0.130208D+01  0.668635D-01 -0.375377D+00  0.744556D+00 -0.127685D+01
      2   0.202119D+01  0.323836D-01  0.910791D+00  0.230839D+00  0.968842D+00
      3  -0.695833D+00 -0.132649D+01  0.171136D+01  0.710036D+00  0.102455D+01
               141           142           143           144           145 
      1  -0.635210D+00 -0.593691D+00  0.325129D+01 -0.886917D+01  0.300125D+01
      2  -0.173756D+00 -0.361538D+01  0.118596D+01  0.116684D+02  0.304408D+01
      3  -0.138634D+01  0.333839D+01 -0.185994D+01  0.740259D+00 -0.153846D+02
               146           147           148           149           150 
      1  -0.140618D+01  0.392651D+01 -0.100662D+01  0.129427D+01 -0.186124D+01
      2  -0.176643D+01  0.291939D+01 -0.122660D+01  0.108575D+01 -0.143507D+01
      3   0.190344D+01 -0.185096D+01  0.483679D+01 -0.259262D+01  0.765061D-01
               151           152           153           154           155 
      1   0.200795D+01 -0.984455D+00  0.608885D+00  0.142001D+01  0.841717D+00
      2   0.649033D+00 -0.129536D+01  0.563268D+00 -0.249885D+01 -0.118703D+01
      3  -0.398639D+01  0.100595D+00 -0.927580D+00 -0.975811D+01 -0.947354D+01
               156           157           158           159           160 
      1  -0.420939D+00  0.112696D+01  0.826509D+00 -0.400919D+00 -0.332520D+00
      2   0.411074D+01 -0.168024D+01 -0.165082D+01  0.327807D+01  0.176397D+01
      3   0.412379D-01 -0.690343D+01 -0.128583D+02  0.947387D+00  0.633497D+00
               161           162           163           164           165 
      1   0.926077D+00  0.352041D+00 -0.464491D+00  0.519933D+00  0.375179D+00
      2   0.765523D+00  0.449630D-01  0.484238D+00 -0.196818D+00 -0.338715D+00
      3   0.240281D+01 -0.547280D+00 -0.483101D+01  0.409270D+01  0.898696D+00
               166           167           168           169           170 
      1   0.405080D+00 -0.287308D+01 -0.400143D+01 -0.444450D+00 -0.129266D+01
      2  -0.352154D+00  0.678621D+00  0.184198D+01 -0.922620D+00  0.120746D+01
      3   0.739235D+01 -0.176287D+02 -0.166881D+01  0.224617D+01 -0.330365D+01
               171           172           173           174           175 
      1  -0.489407D+00 -0.942124D+00 -0.813359D+00 -0.173171D+01  0.113168D+01
      2   0.989615D-01 -0.349533D+01 -0.666846D+00  0.807118D+01  0.739196D+00
      3  -0.907670D+00 -0.828362D+01 -0.124158D+02  0.112613D+01 -0.793837D+01
               176           177           178           179           180 
      1   0.184220D+01 -0.348551D+01  0.209180D+01  0.385933D+01  0.269410D+00
      2  -0.132109D+01 -0.200335D+01  0.125066D+01 -0.132449D+00 -0.355065D+01
      3   0.200200D+02  0.737942D+00  0.139007D+01  0.370404D+01 -0.170347D+01
               181           182           183           184           185 
      1  -0.148346D+01  0.505808D+00  0.715950D+00  0.877698D+00 -0.502854D+01
      2  -0.130753D+01  0.512006D+00  0.142137D+01  0.429621D+00 -0.180409D+01
      3   0.220912D+01 -0.948945D+00  0.659919D+00  0.100500D+01  0.195281D+02
               186           187           188           189           190 
      1  -0.457461D+01  0.939595D+00 -0.153642D+01 -0.320102D+00  0.197884D+01
      2  -0.279672D+01  0.383363D+00 -0.279478D+01  0.247459D+00  0.350400D+01
      3   0.177681D+01  0.187487D+01  0.313443D+01  0.223455D+01  0.187311D-01
               191           192           193           194           195 
      1  -0.113652D+00 -0.625503D-01 -0.239803D+00  0.100108D+01  0.618553D+00
      2  -0.180795D+00  0.145753D+00 -0.876537D+00  0.242118D+01  0.115405D+01
      3  -0.129961D+01 -0.143701D+01 -0.981657D+00  0.129999D+01 -0.187961D+01
               196           197           198           199           200 
      1   0.643391D+00  0.284142D+01  0.126124D+02  0.843593D+00  0.760726D-01
      2  -0.292943D+01 -0.233914D+01  0.205274D+02 -0.204462D+01 -0.142744D+00
      3  -0.246713D+01 -0.340947D+01  0.234633D+01 -0.345498D+00  0.714597D-01
               201           202           203           204           205 
      1   0.939006D+00  0.585206D+00  0.233370D+01 -0.331561D+01 -0.308781D+01
      2  -0.688248D+00 -0.786152D+00 -0.214574D+01  0.299403D+01 -0.288660D-01
      3  -0.979101D+00  0.466293D+00 -0.194026D+01  0.130130D+01 -0.326913D+01
               206           207           208           209           210 
      1  -0.386944D+01  0.157844D+02 -0.317237D+00  0.248520D+00 -0.751570D+00
      2   0.573982D+01 -0.134206D+02  0.776182D-01  0.133860D+00  0.421047D+00
      3   0.407925D+01 -0.291696D+01 -0.449702D+01  0.350829D+01  0.367797D+00
               211           212           213           214           215 
      1  -0.130109D-02 -0.347082D+01  0.755041D-01 -0.684607D+00  0.993421D+00
      2  -0.239935D+00 -0.609068D+00  0.470291D+01  0.971577D-01  0.136562D+01
      3   0.550867D+01 -0.283288D+02  0.571648D+00  0.104460D+01 -0.130986D+01
               216 
      1   0.832430D-01
      2  -0.966524D+00
      3  -0.767317D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.155362D+01 -0.688314D+01 -0.201801D+00 -0.393534D+01  0.955717D+01
      2   0.187280D+01  0.948659D+01 -0.532774D+00  0.528520D+01 -0.192330D+02
      3  -0.342642D+01 -0.260345D+01  0.734576D+00 -0.134985D+01  0.967580D+01
      4  -0.342166D+01 -0.103828D+01 -0.393798D+00 -0.768873D+01  0.774053D+01
      5   0.120179D+01 -0.964949D+00  0.190184D+00 -0.271771D+01  0.100486D+01
      6   0.106335D+01  0.132904D+01  0.831894D+00  0.239486D+01 -0.499399D+01
                 6             7             8             9            10 
      1   0.149907D+01  0.130373D+01  0.357249D+01  0.714862D+01 -0.163138D+02
      2  -0.250080D+00 -0.123790D+00 -0.934246D+01  0.461361D+01  0.725543D+01
      3  -0.124899D+01 -0.117994D+01  0.576997D+01 -0.117622D+02  0.905839D+01
      4   0.165386D+01 -0.186676D+01  0.273981D+01 -0.271166D+00  0.875027D+01
      5   0.733121D+00  0.177661D+01  0.845519D+00 -0.113149D+02 -0.562602D+01
      6  -0.697358D+01 -0.355755D+00 -0.915615D+00  0.212580D+02  0.771952D-01
                11            12            13            14            15 
      1   0.375225D+01 -0.777351D-01  0.815579D+01  0.570428D+01  0.921039D+00
      2  -0.586495D+00  0.277953D+01 -0.497931D+01 -0.932640D+00 -0.161190D+01
      3  -0.316576D+01 -0.270179D+01 -0.317648D+01 -0.477164D+01  0.690861D+00
      4  -0.314385D+01  0.591405D+00  0.547193D+01 -0.510144D+01 -0.122532D+01
      5   0.520294D+00 -0.339360D+01  0.236791D+01  0.173065D+00 -0.325636D+01
      6  -0.198759D+01  0.207179D+01 -0.109022D+01  0.118055D+00  0.784429D+00
                16            17            18            19            20 
      1  -0.930389D+01  0.171893D+01  0.634526D+01 -0.571940D+01  0.977702D+00
      2   0.271846D+01 -0.172784D+01  0.643652D+01  0.457552D+00 -0.593727D+01
      3   0.658543D+01  0.891200D-02 -0.127818D+02  0.526185D+01  0.495957D+01
      4   0.525986D+01 -0.289958D+01 -0.287406D+01 -0.510693D+01 -0.776214D+01
      5  -0.355994D+00 -0.265202D+01  0.311778D+02  0.222769D+01  0.126383D+01
      6   0.141731D+00  0.403661D+00  0.133769D+01 -0.684857D+00  0.125776D+01
                21            22            23            24            25 
      1  -0.104709D+01 -0.668582D+01 -0.391572D+01 -0.149985D+01  0.237714D+01
      2  -0.179735D+01  0.117999D+01  0.314632D+01 -0.216486D+00  0.606037D+00
      3   0.284444D+01  0.550583D+01  0.769400D+00  0.171633D+01 -0.298318D+01
      4   0.143463D+00 -0.923606D+01 -0.229366D+01 -0.377004D+00  0.358372D+01
      5  -0.370531D+01  0.170925D+01  0.130285D+00 -0.107851D+01  0.994774D+00
      6  -0.190434D+01 -0.130505D+00  0.234965D+01 -0.117606D+01  0.241407D+00
                26            27            28            29            30 
      1   0.530673D+00  0.541238D+01 -0.847526D+01  0.908790D+01 -0.336492D+01
      2   0.116145D+01  0.873665D+01  0.320708D+01 -0.734392D+01  0.199364D+00
      3  -0.169213D+01 -0.141490D+02  0.526818D+01 -0.174399D+01  0.316556D+01
      4   0.323182D+01  0.167562D+01 -0.171426D+01 -0.708955D+01  0.243981D+01
      5   0.928402D+00 -0.108120D+02 -0.346925D+01  0.134883D+01 -0.820032D+01
      6   0.321904D+01 -0.127686D+02  0.377137D+01 -0.833373D+00  0.440486D+00
                31            32            33            34            35 
      1   0.642019D+01  0.328140D+01 -0.353468D+01 -0.149095D+01 -0.228642D+00
      2  -0.420343D+01 -0.316240D+01  0.267593D-01 -0.186595D+01  0.163840D+01
      3  -0.221676D+01 -0.119003D+00  0.350792D+01  0.335690D+01 -0.140976D+01
      4  -0.611657D+01 -0.130018D+02 -0.109694D+01  0.113571D+01 -0.166652D+01
      5  -0.273601D-01 -0.369388D+00 -0.452827D+01 -0.250453D+01  0.981799D-02
      6  -0.423304D+00  0.151746D+01 -0.183819D+01  0.584367D+00  0.141698D+00
                36            37            38            39            40 
      1   0.529825D+01  0.194914D+01 -0.196021D+01 -0.120928D+01  0.466330D+00
      2   0.609366D+01  0.368539D+00  0.177327D+01 -0.366427D+00  0.341577D+00
      3  -0.113919D+02 -0.231768D+01  0.186944D+00  0.157570D+01 -0.807907D+00
      4   0.340644D+00 -0.237944D+01  0.153605D+02 -0.164618D+01  0.133725D+02
      5   0.238867D+02  0.159982D+01 -0.288930D+00  0.175817D+02 -0.146955D+01
      6  -0.100500D+02 -0.159330D+01  0.176455D+01  0.213572D+01 -0.433706D+00
                41            42            43            44            45 
      1  -0.141600D+02  0.399419D+01  0.853450D+00  0.271092D+01 -0.614654D+01
      2   0.193240D+02 -0.883135D+00 -0.181509D+01 -0.337634D+01 -0.100229D+01
      3  -0.516398D+01 -0.311105D+01  0.961638D+00  0.665419D+00  0.714883D+01
      4   0.262127D+01 -0.383685D+00 -0.644358D+01 -0.273341D+00 -0.134893D+01
      5  -0.852574D+00  0.176122D+01  0.482777D+01 -0.206991D+00  0.209034D+01
      6  -0.346594D+01  0.524196D+01 -0.845089D+00  0.643361D+01  0.132733D+01
                46            47            48            49            50 
      1  -0.955463D+01  0.399183D+01  0.432596D+01 -0.851090D+01 -0.247118D+01
      2   0.533058D+01 -0.824924D+01 -0.133885D+01  0.555584D+00 -0.465009D+01
      3   0.422405D+01  0.425741D+01 -0.298711D+01  0.795532D+01  0.712128D+01
      4   0.301498D+01 -0.180526D+02 -0.145237D+01 -0.160074D+02 -0.327489D+01
      5   0.301790D-01 -0.105885D+01 -0.938039D+01  0.208682D+01  0.123737D+00
      6  -0.776031D+00 -0.262501D+01 -0.169530D+01  0.523899D+00  0.126187D+01
                51            52            53            54            55 
      1  -0.840284D+00  0.414512D+01 -0.922453D+00  0.849374D+01 -0.368484D+01
      2  -0.130722D+01  0.121715D+01  0.648593D+01  0.820972D+01 -0.289072D+01
      3   0.214750D+01 -0.536226D+01 -0.556348D+01 -0.167035D+02  0.657556D+01
      4   0.115694D+01  0.190561D+01  0.225178D+01  0.181786D+01  0.206837D+02
      5   0.457824D+01 -0.197081D+01 -0.405731D-02 -0.266007D+02 -0.209870D+01
      6  -0.932524D+00  0.437800D+00  0.142057D+00 -0.231111D+02  0.625616D+01
                56            57            58            59            60 
      1   0.513902D+00 -0.261564D+01  0.299426D+01 -0.304331D+02 -0.543549D+01
      2   0.464769D+01  0.545455D+00 -0.163539D+01  0.463904D+02  0.419116D+01
      3  -0.516159D+01  0.207019D+01 -0.135888D+01 -0.159573D+02  0.124434D+01
      4  -0.455184D+01  0.504365D+01  0.324319D+01 -0.132354D+02 -0.348115D+01
      5   0.893486D+00  0.342590D+01  0.144485D+01 -0.244558D+01 -0.165457D+01
      6  -0.160135D+01  0.236371D+01 -0.258279D+01  0.997755D+01  0.116680D+02
                61            62            63            64            65 
      1  -0.193891D+01 -0.931210D+01 -0.792439D+01  0.114697D+00  0.624606D+00
      2  -0.143786D+01  0.152188D+02  0.360489D+01 -0.318405D+01 -0.863713D+00
      3   0.337677D+01 -0.590665D+01  0.431950D+01  0.306936D+01  0.239107D+00
      4   0.101767D+02 -0.906885D+01 -0.186828D+01  0.833529D+00  0.209057D+01
      5   0.340292D+01 -0.335017D+01 -0.230954D+01  0.122520D+01 -0.100980D+01
      6  -0.381489D+00  0.131255D+02  0.621102D+01 -0.291988D+01 -0.535702D+00
                66            67            68            69            70 
      1   0.172755D+01  0.563322D+00 -0.411371D+01  0.252959D+01  0.195745D+01
      2  -0.607843D+00 -0.784264D+00  0.293334D+01 -0.345369D+01 -0.590406D+00
      3  -0.111971D+01  0.220942D+00  0.118037D+01  0.924101D+00 -0.136705D+01
      4  -0.248747D+01  0.197395D+01 -0.129454D+01  0.125896D+01 -0.346387D+01
      5   0.607302D+01  0.664604D-02  0.110684D+01 -0.312493D-01  0.384386D+01
      6   0.938770D+00 -0.953411D-01 -0.351076D+01  0.633278D+01 -0.310330D+00
                71            72            73            74            75 
      1   0.484856D+01 -0.151689D+02  0.234062D+02 -0.197423D+02  0.386128D+01
      2  -0.463625D+01 -0.119986D+02 -0.126909D+02  0.101010D+02 -0.495844D+01
      3  -0.212305D+00  0.271675D+02 -0.107153D+02  0.964128D+01  0.109715D+01
      4   0.293675D+01 -0.475912D+00 -0.256594D+02  0.541134D+01 -0.371383D+00
      5  -0.104538D+01  0.993862D+01  0.851476D+01 -0.952958D-02  0.789802D+01
      6   0.600948D+01 -0.214217D+02 -0.239547D+01  0.859236D+00 -0.256826D+01
                76            77            78            79            80 
      1  -0.384238D+02 -0.574441D+01 -0.728068D-01  0.166261D+02 -0.178256D+00
      2   0.218106D+02  0.750958D+01  0.115107D+01 -0.105909D+02  0.163549D+00
      3   0.166132D+02 -0.176517D+01 -0.107826D+01 -0.603518D+01  0.147064D-01
      4   0.576716D+01 -0.196585D+02  0.450482D+01 -0.346473D+01  0.714286D+01
      5  -0.267680D+01  0.489147D+01 -0.637700D+01  0.131483D+02 -0.356622D+01
      6   0.270063D+00 -0.181456D+01  0.530480D+01 -0.244618D+01  0.403818D+01
                81            82            83            84            85 
      1   0.313055D+01  0.275682D+01 -0.103400D+01 -0.428212D+01 -0.568107D+00
      2  -0.662149D+01 -0.409291D+01  0.495574D+00  0.250273D+01  0.206737D+00
      3   0.349094D+01  0.133609D+01  0.538424D+00  0.177939D+01  0.361369D+00
      4  -0.382159D+01 -0.996094D+00  0.105103D+01  0.206358D+00  0.138429D+01
      5   0.547438D+01 -0.430622D+01 -0.253945D+00  0.630859D+01 -0.535353D+00
      6  -0.105678D+01  0.230569D+00  0.333853D-01  0.206350D+00 -0.119928D+01
                86            87            88            89            90 
      1  -0.356645D+01  0.328080D+00 -0.683046D+01  0.144391D+00 -0.132086D+02
      2   0.294038D+00  0.850938D+00  0.570603D+01  0.569249D+00 -0.147402D+02
      3   0.327242D+01 -0.117902D+01  0.112443D+01 -0.713640D+00  0.279488D+02
      4   0.173090D+01 -0.414702D+01  0.441825D-01 -0.511344D+01  0.132633D+01
      5  -0.418245D+01  0.228745D+01  0.701047D+01  0.164527D+01 -0.288761D+02
      6  -0.156218D+00  0.752064D+01 -0.525135D-01  0.447441D+01  0.108009D+01
                91            92            93            94            95 
      1   0.204655D+00 -0.363489D+00  0.204445D+01 -0.392535D+00 -0.195493D+01
      2  -0.258578D+01  0.621314D+00 -0.515370D+00  0.559285D+00 -0.869254D+00
      3   0.238113D+01 -0.257825D+00 -0.152908D+01 -0.166750D+00  0.282418D+01
      4  -0.222637D+00  0.231340D+01  0.145445D+01  0.285750D+01  0.200024D-01
      5   0.167738D+01  0.150391D+00  0.538024D+01 -0.203970D+00  0.116745D+01
      6   0.163598D+01 -0.216363D+00 -0.664997D+00  0.282030D+00  0.133174D+01
                96            97            98            99           100 
      1  -0.415093D+00  0.224300D+01 -0.204118D+01 -0.154786D+02  0.233449D+02
      2   0.224170D+01 -0.169111D+01  0.302780D+01 -0.145387D+02 -0.941276D+01
      3  -0.182661D+01 -0.551895D+00 -0.986623D+00  0.300173D+02 -0.139321D+02
      4   0.145541D+01  0.249226D+01  0.269300D+01  0.106070D+00  0.202873D+02
      5  -0.746761D+00  0.466373D+01  0.218309D+00  0.107537D+02 -0.338835D+01
      6   0.589361D+01  0.392976D+00  0.424655D+01  0.125186D+02 -0.230274D+01
               101           102           103           104           105 
      1  -0.494008D+01 -0.170414D+01 -0.892028D+00  0.153180D+02  0.363739D+01
      2   0.125885D+02  0.315161D+01  0.563054D+01 -0.157733D+02 -0.365330D+01
      3  -0.764839D+01 -0.144747D+01 -0.473851D+01  0.455238D+00  0.159080D-01
      4   0.215643D+02 -0.152211D+01  0.168957D+02 -0.405131D+00 -0.223740D+01
      5  -0.215742D+00  0.938056D+01 -0.489625D+00 -0.393228D+01  0.133117D+01
      6   0.226316D+00  0.383035D+01  0.354126D+00 -0.537352D+01  0.504980D+01
               106           107           108           109           110 
      1  -0.551431D+01  0.508944D+01 -0.202657D+00 -0.844490D+01 -0.905226D+01
      2   0.241474D+01 -0.842334D+01 -0.284773D+01  0.679551D+01  0.364431D+01
      3   0.309958D+01  0.333390D+01  0.305038D+01  0.164939D+01  0.540795D+01
      4  -0.603323D+01 -0.732711D+01  0.377043D+01 -0.113781D+02  0.163694D+01
      5   0.779237D+01  0.246962D+01 -0.199559D+01  0.999564D+01 -0.251078D+01
      6   0.465276D+01  0.518325D+01 -0.298889D+01 -0.630899D+01  0.368499D+01
               111           112           113           114           115 
      1   0.139905D+01 -0.236667D+02  0.105561D+02  0.171498D+01  0.175907D+02
      2  -0.416501D+01  0.181678D+02 -0.268859D+02 -0.589696D+01 -0.754427D+01
      3   0.276596D+01  0.549888D+01  0.163298D+02  0.418198D+01 -0.100464D+02
      4  -0.490751D+01 -0.577949D+01  0.309710D+02  0.497340D+01 -0.149568D+01
      5  -0.200640D+01  0.126542D+01  0.503659D+01 -0.465793D+01 -0.639081D+00
      6  -0.358685D+01  0.436098D+00 -0.330964D+01  0.477827D+00  0.566395D+00
               116           117           118           119           120 
      1   0.125304D+01  0.149695D+02  0.246990D+01 -0.163516D+01 -0.193989D+01
      2  -0.456809D+01  0.613336D+01 -0.366910D+01  0.912010D+00  0.136291D+01
      3   0.331505D+01 -0.211029D+02  0.119920D+01  0.723151D+00  0.576983D+00
      4   0.711461D+01  0.473626D+01 -0.221191D+01  0.243576D+01  0.916223D+00
      5   0.459630D+01 -0.364293D+02 -0.272188D+01 -0.170215D+00  0.774772D+01
      6  -0.196509D+01  0.167220D+02  0.103068D+01  0.816096D-01 -0.676001D+00
               121           122           123           124           125 
      1  -0.142664D+01 -0.366725D+01 -0.654103D+00 -0.480372D+01 -0.109567D+01
      2   0.467369D+00  0.112381D+01  0.136116D+01  0.576625D+01  0.758211D+00
      3   0.959272D+00  0.254344D+01 -0.707059D+00 -0.962527D+00  0.337460D+00
      4   0.272567D+01  0.435192D+00 -0.197538D+01  0.305027D+01 -0.264716D+01
      5   0.305071D-02 -0.271610D+01  0.622240D+00  0.674194D+01 -0.109224D+01
      6  -0.593592D+00  0.154296D+01  0.676931D+01 -0.115562D+01  0.481934D+01
               126           127           128           129           130 
      1  -0.154454D+02  0.179716D+02  0.117601D+01  0.218991D+00  0.584755D+01
      2  -0.130382D+02 -0.134371D+01  0.100297D+02  0.955508D+00  0.588482D+01
      3   0.284836D+02 -0.166279D+02 -0.112057D+02 -0.117450D+01 -0.117324D+02
      4  -0.124246D+01  0.235578D+02  0.276540D+02  0.286101D-01  0.263244D+02
      5  -0.193681D+02 -0.172725D+01 -0.262032D+00  0.781880D+01  0.528233D+00
      6   0.976894D+01 -0.129814D+00 -0.519768D+00  0.372097D+01  0.123335D+01
               131           132           133           134           135 
      1  -0.689363D+01 -0.118948D+01 -0.190230D-01 -0.427781D+01  0.563708D+01
      2   0.268918D+02  0.201753D+01  0.954750D+00  0.420996D+01 -0.229324D+01
      3  -0.199982D+02 -0.828053D+00 -0.935727D+00  0.678513D-01 -0.334385D+01
      4   0.290018D+02  0.227025D+01  0.489013D+01  0.676291D+01 -0.223735D+01
      5   0.181226D+01 -0.125143D+01  0.408476D+01 -0.281498D+01  0.196905D+02
      6   0.193972D+01  0.311613D+01  0.461996D+00 -0.901061D+00  0.238563D+02
               136           137           138           139           140 
      1   0.237483D+00  0.568633D+00  0.336578D+01 -0.374608D+00 -0.295518D+01
      2  -0.266997D+01  0.577044D-02 -0.144690D+01  0.110805D+01  0.128658D+01
      3   0.243249D+01 -0.574404D+00 -0.191889D+01 -0.733437D+00  0.166860D+01
      4   0.129055D+01  0.386670D+01  0.284039D+01  0.393996D+01  0.146746D+01
      5   0.366086D+01  0.686003D+00  0.719683D+01 -0.366785D+00  0.237782D+01
      6   0.321844D+01 -0.150513D+00  0.467834D+00  0.129746D+00  0.331321D+01
               141           142           143           144           145 
      1  -0.177176D+01  0.281479D+01 -0.402793D+01 -0.164936D+02  0.106889D+02
      2   0.328318D+01 -0.326652D+01  0.240949D+01 -0.131675D+02  0.497247D+01
      3  -0.151143D+01  0.451731D+00  0.161844D+01  0.296611D+02 -0.156614D+02
      4   0.189659D+01  0.542545D+01  0.520708D+01  0.291379D+01 -0.313986D+02
      5  -0.601532D+00  0.767249D+01  0.324282D+01  0.219716D+02 -0.399341D-01
      6   0.668280D+01  0.290987D+01  0.760566D+01  0.222047D+02 -0.305328D+01
               146           147           148           149           150 
      1   0.891400D+00  0.188159D+01 -0.804687D+00 -0.233651D+01  0.395393D+00
      2  -0.135357D+02  0.599399D+00 -0.656164D+01  0.114605D+02 -0.155530D+01
      3   0.126443D+02 -0.248099D+01  0.736632D+01 -0.912404D+01  0.115990D+01
      4   0.230976D+02 -0.275542D+01  0.154609D+02 -0.129099D+02  0.151688D+01
      5   0.335526D+00  0.353498D+01  0.299410D+00  0.472066D+00 -0.195044D+01
      6   0.674327D+00 -0.597341D+01  0.916012D+00 -0.120009D+01  0.322084D+01
               151           152           153           154           155 
      1   0.173108D+01  0.131501D+01 -0.664412D+00  0.451151D+02  0.144381D+02
      2   0.957663D+00 -0.394011D+01  0.916407D+00 -0.247078D+02 -0.834179D+01
      3  -0.268874D+01  0.262510D+01 -0.251996D+00 -0.204073D+02 -0.609634D+01
      4  -0.646649D+01  0.447733D+01 -0.451351D+01  0.115980D+02  0.123023D+02
      5   0.388637D+01 -0.237171D+01  0.963607D+00  0.609236D+00  0.184396D+00
      6  -0.407806D+01  0.486409D+01 -0.999978D+00  0.120006D+01  0.101034D+01
               156           157           158           159           160 
      1  -0.101138D+01  0.301638D+02  0.109639D+02  0.138450D+00 -0.544389D+01
      2  -0.129019D+00 -0.172469D+02 -0.468178D+01 -0.779264D+00  0.317657D+01
      3   0.114040D+01 -0.129169D+02 -0.628211D+01  0.640814D+00  0.226732D+01
      4  -0.989591D-01  0.124497D+02  0.135961D+02 -0.109216D+01 -0.950512D+00
      5   0.677504D+01  0.121845D+01 -0.120519D+01  0.492655D+01  0.746821D+01
      6   0.233176D-01  0.121471D+01  0.948689D+00  0.225329D+00  0.586788D+00
               161           162           163           164           165 
      1  -0.113488D+01  0.413253D+01 -0.122905D+01  0.531700D+01  0.692453D+00
      2   0.550239D+00 -0.398699D+01  0.252892D+01 -0.610686D+01 -0.800706D+00
      3   0.584639D+00 -0.145541D+00 -0.129986D+01  0.789860D+00  0.108254D+00
      4  -0.221833D+01  0.153915D+01 -0.103331D+01  0.586999D+00  0.575107D+00
      5   0.183207D+01  0.201877D+00  0.468263D+00 -0.261451D+00 -0.285969D+00
      6   0.143023D+01 -0.481452D+00  0.108477D+01 -0.411702D+00 -0.204460D+00
               166           167           168           169           170 
      1   0.503508D+01 -0.254192D+02 -0.151207D+01  0.144627D+01 -0.431845D+01
      2  -0.101665D+01  0.419522D+02  0.293308D+01 -0.955199D+00  0.591118D+01
      3  -0.401844D+01 -0.165329D+02 -0.142101D+01 -0.491070D+00 -0.159273D+01
      4   0.753170D+01  0.228776D+02  0.142179D+01  0.125537D+01  0.349405D+01
      5  -0.780642D-01  0.243706D+01  0.343696D+01  0.152486D+01  0.245584D+01
      6  -0.106175D+00  0.309362D+01  0.561795D+01  0.825662D+00  0.634002D+01
               171           172           173           174           175 
      1  -0.350744D+01  0.711926D+02  0.135105D+01 -0.475275D+01  0.104186D+01
      2   0.305782D+01 -0.410452D+02  0.910998D-01  0.639518D+01 -0.232856D+01
      3   0.449625D+00 -0.301474D+02 -0.144214D+01 -0.164243D+01  0.128670D+01
      4   0.246718D+01 -0.502602D+01  0.130309D+02  0.257665D+01  0.196997D+02
      5   0.195331D+00 -0.109219D+02  0.145412D+01  0.145027D+02  0.951512D+00
      6   0.127681D+01  0.298045D+01 -0.180778D+01  0.108446D+01 -0.124445D+01
               176           177           178           179           180 
      1   0.113554D+02  0.283233D+01 -0.195166D+02  0.243120D+00  0.692724D+01
      2  -0.188233D+01  0.404158D+00  0.119495D+02 -0.670390D+00 -0.106861D+02
      3  -0.947305D+01 -0.323649D+01  0.756710D+01  0.427270D+00  0.375887D+01
      4  -0.264164D+02 -0.368105D+01  0.159757D+01 -0.499085D+01 -0.175078D+01
      5  -0.395463D+01 -0.362749D+01  0.186860D+02  0.802812D-01 -0.739042D+01
      6   0.138041D+01  0.704567D+01 -0.227941D+01  0.365008D+01 -0.103302D+00
               181           182           183           184           185 
      1   0.307652D+01 -0.598762D+01 -0.259199D+01 -0.589740D+01 -0.174567D+02
      2   0.272613D+01  0.130695D+01  0.854528D+00 -0.386447D+01  0.416962D+02
      3  -0.580265D+01  0.468068D+01  0.173746D+01  0.976187D+01 -0.242395D+02
      4  -0.818155D+01  0.100754D+02  0.137623D+01  0.186362D+02 -0.464205D+02
      5  -0.232199D+01  0.375752D+00  0.251111D+01  0.811756D-01 -0.279206D+01
      6   0.154918D+01 -0.386966D+00 -0.924763D+00  0.204369D+00  0.156950D+01
               186           187           188           189           190 
      1  -0.155186D+01 -0.473668D+01 -0.283910D+01 -0.343365D+01  0.991252D+00
      2   0.369569D+01  0.114838D+01  0.618213D+01  0.270775D+01 -0.382380D+01
      3  -0.214383D+01  0.358831D+01 -0.334303D+01  0.725904D+00  0.283255D+01
      4  -0.315866D+01  0.419194D+01 -0.780597D+01 -0.609302D+01  0.606321D+00
      5  -0.551490D+01  0.343974D+01 -0.614012D+01  0.760336D+00  0.611710D+01
      6   0.639340D+01 -0.195788D+01  0.722298D+01  0.155697D+01 -0.191979D+01
               191           192           193           194           195 
      1   0.107123D+01  0.722096D+01  0.483665D+01 -0.405311D+01  0.878317D+00
      2  -0.102883D+01 -0.350481D+01 -0.375929D+01  0.321540D+01 -0.242161D+01
      3  -0.423989D-01 -0.371615D+01 -0.107736D+01  0.837711D+00  0.154329D+01
      4   0.151055D+01 -0.208520D+01  0.139540D+01 -0.427116D+01  0.425803D+01
      5  -0.687243D+00  0.594721D+01  0.191651D-01  0.455436D+01  0.255401D+01
      6  -0.561889D+00  0.482180D+00  0.526807D+00 -0.171723D+01  0.417433D+01
               196           197           198           199           200 
      1   0.944116D+01  0.326295D+01 -0.186474D+02  0.178762D+01  0.261268D+01
      2  -0.712069D+01 -0.192883D+01 -0.131040D+02 -0.135172D+01 -0.155721D+01
      3  -0.232048D+01 -0.133412D+01  0.317514D+02 -0.435899D+00 -0.105548D+01
      4  -0.466899D+01  0.672889D+01 -0.605955D+01  0.235799D+01  0.164536D+01
      5   0.976807D+01 -0.613155D+01  0.432321D+02 -0.181741D+01 -0.591679D+00
      6  -0.256979D+01  0.789290D+01 -0.196208D+02 -0.193546D+01  0.888101D+00
               201           202           203           204           205 
      1  -0.335443D+01  0.738240D+00 -0.502089D+01  0.235930D+01 -0.476334D+01
      2   0.147421D+01  0.762781D+00  0.759162D+01 -0.410378D+01  0.165991D+01
      3   0.188022D+01 -0.150102D+01 -0.257073D+01  0.174448D+01  0.310342D+01
      4  -0.189004D+01  0.305110D+01  0.526592D+01 -0.354160D+01 -0.950584D+01
      5   0.663482D+00 -0.122072D+01 -0.309423D+01  0.477105D+01  0.649504D+01
      6  -0.185579D+01 -0.146211D+01 -0.547083D+01  0.761443D+01  0.533657D+01
               206           207           208           209           210 
      1   0.747466D+01 -0.103703D+02  0.147654D+01  0.658407D+01  0.101717D+01
      2  -0.905309D+01  0.182464D+01  0.495573D+00 -0.283281D+01 -0.457951D+00
      3   0.157843D+01  0.854562D+01 -0.197211D+01 -0.375127D+01 -0.559219D+00
      4  -0.119388D+02  0.992586D+01  0.676947D+01 -0.184484D-01 -0.289738D+00
      5   0.966241D+01 -0.233352D+02  0.812518D+00 -0.635339D+00  0.985922D+00
      6   0.143344D+02 -0.282581D+02 -0.785779D-01 -0.171648D+00  0.145634D+01
               211           212           213           214           215 
      1   0.246354D+02 -0.189221D+01 -0.161209D+01  0.203078D+01 -0.649145D+00
      2  -0.142203D+02  0.189075D+01  0.169917D+01 -0.107470D+01  0.518945D+00
      3  -0.104151D+02  0.145998D-02 -0.870736D-01 -0.956086D+00  0.130201D+00
      4  -0.116605D+01  0.335755D+02 -0.267995D+00 -0.649095D+00  0.116909D+01
      5  -0.219594D+01  0.256615D+00  0.827443D+01  0.442897D+01  0.240885D+01
      6   0.576950D+00 -0.103948D+01 -0.126372D+01  0.313881D+00  0.218163D+01
               216 
      1   0.123006D+01
      2  -0.227658D+01
      3   0.104652D+01
      4   0.193740D+01
      5  -0.220353D+01
      6   0.342972D-01
 Leave Link  716 at Tue Aug 17 17:31:22 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.116187D+03  0.102008D+01 -0.298449D+00
      2   0.102008D+01  0.103977D+03 -0.170784D+01
      3  -0.298449D+00 -0.170784D+01  0.869500D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.185319D+01 -0.442843D+01  0.607561D+01
      2  -0.337407D+01 -0.292782D+00  0.480886D+01
      3  -0.630690D+01 -0.969059D+01  0.158958D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.300164D+02 -0.126833D+02 -0.165555D+02
      2  -0.240251D+02  0.137128D+02  0.112518D+02
      3  -0.599128D+01 -0.102955D+01  0.530366D+01
      4  -0.211062D+02 -0.977590D+01 -0.129310D+01
      5  -0.734483D+01 -0.290648D+01  0.736825D+01
      6  -0.144747D+00  0.136482D+02 -0.115044D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.242058D+01  0.183501D+01 -0.537219D+00  0.114591D+01  0.190766D+01
      2   0.183501D+01  0.197989D+01  0.192894D+00  0.190766D+01 -0.322970D+01
      3  -0.537219D+00  0.192894D+00 -0.522868D+00  0.285595D+00 -0.873129D+00
                 6             7             8             9            10 
      1   0.285595D+00 -0.792216D+00  0.413031D+00 -0.465407D+00  0.282863D+01
      2  -0.873129D+00  0.413031D+00 -0.179573D+01 -0.449415D+00 -0.154353D+01
      3   0.516892D+00 -0.465407D+00 -0.449415D+00  0.824292D+01  0.863917D+00
                11            12            13            14            15 
      1  -0.154353D+01  0.863917D+00 -0.213742D+01 -0.188129D+01 -0.463958D+00
      2  -0.121574D+01 -0.234364D+00 -0.188129D+01  0.167891D+01  0.517755D+00
      3  -0.234364D+00 -0.948411D+00 -0.463958D+00  0.517755D+00  0.116905D+01
                16            17            18            19            20 
      1   0.160326D+01 -0.723582D+00  0.177774D+00  0.116384D+01 -0.192444D+01
      2  -0.723582D+00  0.895640D+00  0.561245D+00 -0.192444D+01 -0.178640D+01
      3   0.177774D+00  0.561245D+00 -0.868127D+01  0.630137D+00  0.145886D+00
                21            22            23            24            25 
      1   0.630137D+00 -0.319105D+01 -0.252576D+01  0.952021D-01  0.148148D+01
      2   0.145886D+00 -0.252576D+01  0.210064D+01  0.642086D+00  0.280779D+00
      3   0.734437D+00  0.952021D-01  0.642086D+00  0.113764D+01  0.194958D+00
                26            27            28            29            30 
      1   0.280779D+00  0.194958D+00  0.348757D+00  0.304281D+01 -0.897178D+00
      2   0.142080D+01  0.648503D+00  0.304281D+01  0.145431D+01  0.570215D-02
      3   0.648503D+00 -0.785675D+01 -0.897178D+00  0.570215D-02 -0.913373D+00
                31            32            33            34            35 
      1   0.338664D+01  0.251743D+01  0.609572D-02 -0.102797D+01  0.179178D+00
      2   0.251743D+01 -0.313943D+01 -0.736902D+00  0.179178D+00 -0.136735D+01
      3   0.609572D-02 -0.736902D+00 -0.673911D+00 -0.432553D+00 -0.832738D-01
                36            37            38            39            40 
      1  -0.432553D+00  0.186645D+01 -0.270151D+01  0.487684D+00 -0.407909D+01
      2  -0.832738D-01 -0.270151D+01 -0.263439D+00 -0.500766D+00 -0.831490D+00
      3   0.839255D+01  0.487684D+00 -0.500766D+00  0.359502D-01 -0.975003D-01
                41            42            43            44            45 
      1  -0.831490D+00 -0.975003D-01  0.278916D+01  0.169629D+00  0.207485D+00
      2  -0.318162D+01  0.915174D+00  0.169629D+00  0.128316D+01 -0.683706D+00
      3   0.915174D+00  0.524295D+00  0.207485D+00 -0.683706D+00 -0.135127D+01
                46            47            48            49            50 
      1  -0.380563D+01  0.407427D+00 -0.109186D+00  0.280735D+01  0.172758D+01
      2   0.407427D+00  0.172099D+01  0.881742D+00  0.172758D+01 -0.165217D+01
      3  -0.109186D+00  0.881742D+00 -0.469707D+00  0.511066D-01 -0.418834D+00
                51            52            53            54            55 
      1   0.511066D-01 -0.127083D+01  0.339793D+00  0.320441D-01  0.422149D+01
      2  -0.418834D+00  0.339793D+00 -0.128615D+01 -0.119432D+00 -0.810611D+00
      3  -0.207859D+01  0.320441D-01 -0.119432D+00  0.864271D+01  0.124351D+01
                56            57            58            59            60 
      1  -0.810611D+00  0.124351D+01 -0.215031D+00 -0.109058D+00 -0.260253D+00
      2   0.174888D+01 -0.117036D+00 -0.109058D+00  0.752490D+01  0.119024D+01
      3  -0.117036D+00  0.913301D+00 -0.260253D+00  0.119024D+01 -0.157677D+00
                61            62            63            64            65 
      1   0.200403D+01 -0.876344D+00  0.604244D-01  0.436614D+00 -0.328780D+00
      2  -0.876344D+00  0.317495D+01  0.143625D+01 -0.328780D+00 -0.337416D+00
      3   0.604244D-01  0.143625D+01  0.271486D+00 -0.881718D+00 -0.223017D-01
                66            67            68            69            70 
      1  -0.881718D+00 -0.200315D+00 -0.329916D+00 -0.456024D-02 -0.176270D+01
      2  -0.223017D-01 -0.329916D+00  0.749058D+00 -0.102553D+01  0.124125D+00
      3   0.171606D+00 -0.456024D-02 -0.102553D+01  0.329736D+00 -0.237169D-01
                71            72            73            74            75 
      1   0.124125D+00 -0.237169D-01 -0.381458D+01  0.316615D+01 -0.949645D+00
      2  -0.194131D+01  0.786137D+00  0.316615D+01  0.768861D+00 -0.142204D+00
      3   0.786137D+00 -0.741404D+01 -0.949645D+00 -0.142204D+00  0.900051D+00
                76            77            78            79            80 
      1   0.621669D+01 -0.407542D+00  0.291929D+00 -0.298227D+01  0.243771D+00
      2  -0.407542D+00  0.346027D+01 -0.879895D+00  0.243771D+00 -0.118408D+01
      3   0.291929D+00 -0.879895D+00  0.697154D+00 -0.121563D+01  0.417198D+00
                81            82            83            84            85 
      1  -0.121563D+01 -0.671201D+00  0.344984D+00  0.995326D+00  0.228021D+00
      2   0.417198D+00  0.344984D+00  0.252057D+00  0.526041D-01  0.240554D+00
      3  -0.212834D+00  0.995326D+00  0.526041D-01 -0.269414D+00  0.840471D-01
                86            87            88            89            90 
      1   0.240554D+00  0.840471D-01  0.208139D+01  0.125898D+00 -0.741430D+00
      2  -0.488785D+00  0.101643D+01  0.125898D+00  0.163293D+01 -0.312603D+00
      3   0.101643D+01 -0.596749D+00 -0.741430D+00 -0.312603D+00  0.761672D+01
                91            92            93            94            95 
      1  -0.252518D+00  0.204802D+00  0.974517D+00  0.281755D+00  0.443330D+00
      2   0.204802D+00  0.425483D+00  0.461791D-01  0.443330D+00 -0.391492D+00
      3   0.974517D+00  0.461791D-01 -0.767614D-01  0.690647D-01  0.854219D+00
                96            97            98            99           100 
      1   0.690647D-01  0.192100D+01 -0.485914D-02  0.286717D+00  0.600034D+01
      2   0.854219D+00 -0.485914D-02  0.171551D+01  0.142990D+00  0.188318D+01
      3  -0.298462D+00  0.286717D+00  0.142990D+00  0.728000D+01 -0.721196D+00
               101           102           103           104           105 
      1   0.188318D+01 -0.721196D+00  0.754272D+00  0.302021D+01  0.213586D+00
      2   0.356774D+01  0.183419D+00  0.302021D+01 -0.274085D+01 -0.898383D+00
      3   0.183419D+00  0.133183D-02  0.213586D+00 -0.898383D+00 -0.834491D+00
               106           107           108           109           110 
      1  -0.189166D+01 -0.393851D+00  0.989110D+00  0.120956D+01 -0.261026D+01
      2  -0.393851D+00 -0.212401D+01  0.463554D+00 -0.261026D+01  0.557227D+00
      3   0.989110D+00  0.463554D+00 -0.103876D+00  0.145660D+01 -0.400939D+00
               111           112           113           114           115 
      1   0.145660D+01 -0.262474D+01 -0.169494D+01  0.220834D-01  0.265194D+01
      2  -0.400939D+00 -0.169494D+01  0.652833D+01  0.122470D+01  0.552524D-01
      3   0.998866D+00  0.220834D-01  0.122470D+01 -0.349660D+00 -0.441101D-01
               116           117           118           119           120 
      1   0.552524D-01 -0.441101D-01  0.840774D+00 -0.586823D+00 -0.996030D+00
      2   0.125785D+01  0.875773D+00 -0.586823D+00 -0.611144D-01 -0.381010D-01
      3   0.875773D+00 -0.784989D+01 -0.996030D+00 -0.381010D-01  0.658113D+00
               121           122           123           124           125 
      1  -0.628976D+00 -0.910220D-01 -0.658069D-01 -0.248030D+01 -0.920325D-01
      2  -0.910220D-01  0.231336D+00 -0.939085D+00 -0.920325D-01 -0.140922D+01
      3  -0.658069D-01 -0.939085D+00 -0.875547D-01  0.892718D+00 -0.447237D+00
               126           127           128           129           130 
      1   0.892718D+00 -0.416535D+01 -0.241698D+01  0.982746D-01 -0.273636D+01
      2  -0.447237D+00 -0.241698D+01 -0.285756D+01 -0.139675D+00 -0.270709D+01
      3  -0.746479D+01  0.982746D-01 -0.139675D+00  0.765484D-01 -0.450024D+00
               131           132           133           134           135 
      1  -0.270709D+01 -0.450024D+00 -0.913054D+00 -0.935192D+00  0.746288D-01
      2  -0.516574D+01 -0.578960D+00 -0.935192D+00 -0.195952D+01  0.965815D+00
      3  -0.578960D+00  0.132529D+01  0.746288D-01  0.965815D+00 -0.532859D+01
               136           137           138           139           140 
      1   0.244686D-01 -0.370456D+00 -0.114334D+01 -0.409123D+00 -0.553010D+00
      2  -0.370456D+00 -0.418885D+00 -0.825681D-01 -0.553010D+00 -0.302006D+00
      3  -0.114334D+01 -0.825681D-01 -0.177931D+00  0.947370D-01 -0.923127D+00
               141           142           143           144           145 
      1   0.947370D-01 -0.227992D+01 -0.349873D+00 -0.975638D+00 -0.561662D+01
      2  -0.923127D+00 -0.349873D+00 -0.156271D+01 -0.113974D+01  0.301864D+01
      3  -0.952686D-01 -0.975638D+00 -0.113974D+01 -0.794520D+01 -0.486209D+00
               146           147           148           149           150 
      1   0.301864D+01 -0.486209D+00  0.222868D+01 -0.176093D+01  0.136200D+00
      2  -0.368658D+01  0.479661D-01 -0.176093D+01  0.254502D+01 -0.261919D+00
      3   0.479661D-01 -0.120334D+01  0.136200D+00 -0.261919D+00  0.732767D+00
               151           152           153           154           155 
      1  -0.119274D+01  0.542313D+00 -0.714216D+00 -0.651999D+01 -0.195545D+01
      2   0.542313D+00 -0.981118D+00  0.736930D+00 -0.195545D+01 -0.206846D+01
      3  -0.714216D+00  0.736930D+00 -0.140693D+00  0.127160D-02  0.259122D-01
               156           157           158           159           160 
      1   0.127160D-02 -0.445009D+01 -0.172646D+01 -0.180311D+00  0.798022D+00
      2   0.259122D-01 -0.172646D+01 -0.243568D+01  0.218484D+00  0.133414D+00
      3  -0.112560D+01 -0.180311D+00  0.218484D+00 -0.749726D+00 -0.932460D+00
               161           162           163           164           165 
      1   0.133414D+00 -0.932460D+00 -0.523379D+00  0.629642D+00  0.215941D+00
      2   0.409279D+00 -0.192404D+00  0.629642D+00 -0.976642D+00 -0.339413D-01
      3  -0.192404D+00 -0.700502D-01  0.215941D+00 -0.339413D-01  0.445326D-01
               166           167           168           169           170 
      1   0.231685D+01  0.521325D+00 -0.103123D+00  0.568213D+00 -0.485109D-01
      2   0.521325D+00  0.817907D+01  0.476367D+00 -0.485109D-01  0.122101D+01
      3  -0.103123D+00  0.476367D+00  0.126446D+01  0.235574D+00  0.912032D+00
               171           172           173           174           175 
      1   0.235574D+00  0.840525D+01  0.580794D+00 -0.131937D+01 -0.303732D+00
      2   0.912032D+00  0.580794D+00  0.869301D+00  0.235704D+00  0.258482D+01
      3   0.132267D+00 -0.131937D+01  0.235704D+00  0.248935D+00  0.293756D+00
               176           177           178           179           180 
      1   0.258482D+01  0.293756D+00 -0.282883D+01 -0.779605D-01  0.165830D+01
      2  -0.445419D+01 -0.518010D+00 -0.779605D-01 -0.617423D+00  0.580851D-03
      3  -0.518010D+00 -0.107130D+01  0.165830D+01  0.580851D-03 -0.571728D+00
               181           182           183           184           185 
      1   0.654129D+00 -0.105562D+01 -0.495760D+00 -0.235436D+01  0.226368D+01
      2  -0.105562D+01  0.572888D+00  0.766120D-01  0.226368D+01 -0.907146D+01
      3  -0.495760D+00  0.766120D-01  0.287464D+00  0.583768D-01 -0.689373D+00
               186           187           188           189           190 
      1   0.583768D-01 -0.115506D+01  0.376914D+00  0.447785D+00  0.407832D-01
      2  -0.689373D+00  0.376914D+00 -0.154279D+01 -0.119047D+01  0.250924D+00
      3  -0.104371D+01  0.447785D+00 -0.119047D+01  0.125206D+00  0.106945D+01
               191           192           193           194           195 
      1   0.250924D+00  0.106945D+01  0.829600D+00  0.222800D+00 -0.867436D-02
      2   0.344164D-01  0.378497D-01  0.222800D+00 -0.764753D+00  0.901139D+00
      3   0.378497D-01 -0.718248D-01 -0.867436D-02  0.901139D+00  0.465670D+00
               196           197           198           199           200 
      1   0.222393D+01 -0.291851D+00  0.914744D+00 -0.544062D+00 -0.245012D+00
      2  -0.291851D+00  0.147876D+01 -0.112991D+01 -0.245012D+00  0.621156D-01
      3   0.914744D+00 -0.112991D+01  0.860818D+01  0.377454D+00 -0.133754D+00
               201           202           203           204           205 
      1   0.377454D+00 -0.372259D+00 -0.319342D+00  0.228658D+00  0.212995D+01
      2  -0.133754D+00 -0.319342D+00 -0.151939D+01  0.861545D+00  0.994360D+00
      3   0.276568D+00  0.228658D+00  0.861545D+00 -0.124840D+01 -0.117316D+01
               206           207           208           209           210 
      1   0.994360D+00 -0.117316D+01  0.292836D+00  0.118510D+01  0.122764D+00
      2   0.297918D+01 -0.250901D+01  0.118510D+01 -0.341915D+00 -0.868209D-01
      3  -0.250901D+01  0.598715D+01  0.122764D+00 -0.868209D-01  0.431525D+00
               211           212           213           214           215 
      1   0.350678D+01 -0.511540D+00 -0.296228D+00  0.325179D+00 -0.184404D+00
      2  -0.511540D+00  0.553973D+01 -0.749978D-01 -0.184404D+00  0.302356D+00
      3  -0.296228D+00 -0.749978D-01  0.112255D+01  0.546060D+00  0.310191D+00
               216 
      1   0.546060D+00
      2   0.310191D+00
      3  -0.308224D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.883783D+00  0.146576D+00 -0.455958D+00 -0.126568D+01  0.159376D+01
      2   0.845962D+00  0.199037D+00  0.133987D+01  0.561663D+00  0.134919D+01
      3  -0.747519D+00 -0.816849D-01 -0.640877D+00  0.460056D+01 -0.102157D+01
                 6             7             8             9            10 
      1   0.877202D+00  0.715953D+00  0.338036D+01 -0.824837D+01 -0.709376D+00
      2   0.317136D+00 -0.256981D+01 -0.203593D+00 -0.514497D+01 -0.174270D+01
      3   0.776252D-01 -0.300793D+00 -0.163304D+01 -0.914950D+00 -0.188444D+01
                11            12            13            14            15 
      1  -0.179246D+01 -0.787539D+00 -0.401331D+00 -0.166554D+01 -0.166449D+01
      2  -0.453758D+00  0.160609D+00  0.293803D+00 -0.101626D+01 -0.166112D+01
      3  -0.428228D+01 -0.372949D-01  0.140261D+01  0.220141D+01  0.190745D+01
                16            17            18            19            20 
      1  -0.110078D+01  0.197147D+01 -0.814224D+00 -0.148339D+01  0.375281D-01
      2  -0.301770D+01 -0.113818D+01  0.119781D+02 -0.372432D+00  0.927717D+00
      3  -0.825306D+00  0.161675D+01  0.112628D+01  0.174232D+01 -0.358291D+01
                21            22            23            24            25 
      1   0.665210D+00 -0.942165D+00 -0.134162D+01 -0.615378D+00  0.333793D+00
      2   0.532469D-01  0.528479D+00  0.674228D+00 -0.269998D+00 -0.389652D+01
      3  -0.303756D-01  0.202962D+01 -0.315951D+01 -0.132748D+01  0.146105D+01
                26            27            28            29            30 
      1   0.174695D+01  0.523747D+01 -0.151369D+01  0.565839D+00  0.121571D+01
      2   0.528042D+00 -0.446967D+01 -0.885741D+00  0.100975D+01 -0.241875D+01
      3  -0.644101D+00 -0.382386D+00 -0.515769D+01 -0.759846D+01  0.259689D+00
                31            32            33            34            35 
      1  -0.867192D+00  0.335036D+00 -0.224003D+00 -0.140983D+00  0.312923D+01
      2  -0.646094D+00 -0.743076D+00 -0.276361D+01 -0.515640D+01  0.618937D+00
      3  -0.370076D+01  0.519186D+01  0.173829D+01  0.657898D+00  0.419437D+00
                36            37            38            39            40 
      1   0.402202D+01  0.176567D+01 -0.581686D-01 -0.114737D+01  0.482522D+00
      2   0.135067D+02  0.439948D+00  0.820349D-01  0.105090D+02 -0.308551D+00
      3   0.502282D+00 -0.367084D+01 -0.167117D+01 -0.123618D+01  0.175138D+02
                41            42            43            44            45 
      1   0.756834D+00 -0.473159D+01  0.177492D+01  0.246301D+01 -0.690943D-01
      2  -0.140364D+00  0.491062D+00 -0.660596D+01 -0.133309D+01  0.118301D+01
      3   0.190628D+01  0.138941D-02 -0.426372D+01 -0.394826D+00 -0.293254D+00
                46            47            48            49            50 
      1  -0.138277D-01  0.182947D+00 -0.697046D+00 -0.814512D+00  0.409378D+00
      2   0.987014D+00  0.189677D+00 -0.419774D+01 -0.274316D-01  0.162664D+01
      3   0.664076D+01  0.389707D+01  0.502508D+00 -0.491237D+00 -0.110843D+01
                51            52            53            54            55 
      1  -0.106752D+01 -0.186261D+01  0.281862D+01  0.910436D+01 -0.380641D+01
      2   0.325249D+01 -0.408811D+01 -0.103432D+01 -0.140464D+02 -0.334449D+01
      3  -0.143132D+01  0.147510D+01 -0.196547D+01 -0.352340D+00  0.150711D+02
                56            57            58            59            60 
      1   0.143401D+01 -0.178621D+01  0.197943D+01 -0.342936D+01 -0.613179D+01
      2   0.255309D+01  0.960650D+00  0.690544D+00 -0.190069D+01 -0.513410D+00
      3  -0.479639D+01  0.251286D+01  0.429480D+01  0.836705D+01  0.260507D-01
                61            62            63            64            65 
      1  -0.882001D+00  0.146717D+01 -0.295777D+01  0.107545D+01 -0.456532D-01
      2  -0.441087D+01 -0.976295D-01 -0.101156D+01  0.101091D+01 -0.564363D+00
      3   0.626808D+01  0.186096D+01  0.144334D+01  0.369257D+00 -0.163615D+01
                66            67            68            69            70 
      1  -0.402288D+00  0.729358D-01  0.142071D+01 -0.562401D+00 -0.251621D+00
      2   0.996499D+00 -0.352773D+00  0.394446D+00  0.344552D-01 -0.406750D+01
      3  -0.897450D+00  0.602139D+00  0.126725D+00 -0.646283D+00 -0.251628D+01
                71            72            73            74            75 
      1   0.384684D+01  0.873532D+01 -0.101316D+01 -0.505644D-01  0.143993D+01
      2  -0.335233D+00  0.497191D+01  0.483252D+01  0.132297D+01  0.436985D+01
      3  -0.112998D+01  0.733523D+00  0.100487D+02 -0.166173D+00 -0.352123D+00
                76            77            78            79            80 
      1  -0.196102D+01 -0.518962D+00 -0.256187D+01  0.150227D+01  0.329447D+01
      2   0.115381D+01  0.258881D+01 -0.414184D+01 -0.145104D+01 -0.136474D+01
      3   0.724355D+01  0.165372D+02 -0.184567D+01 -0.180261D+00 -0.538272D+01
                81            82            83            84            85 
      1   0.474661D+00  0.134967D+00  0.338704D+00  0.217465D-01  0.682794D+00
      2   0.252647D+01 -0.200060D+01 -0.108088D+00  0.760465D+00  0.826164D-01
      3   0.582330D+00  0.664334D+00 -0.415350D+00  0.845171D-01  0.159624D+01
                86            87            88            89            90 
      1  -0.446648D+00 -0.165429D+01  0.379549D+00  0.421472D+01 -0.111491D+01
      2  -0.175658D+01  0.102486D+01 -0.351887D+01  0.340235D+00 -0.121786D+02
      3  -0.547312D+00  0.119370D+01  0.284983D+00  0.305563D+01 -0.142773D+00
                91            92            93            94            95 
      1  -0.872862D+00  0.223041D+00  0.485449D+00  0.167909D+00 -0.127862D+01
      2   0.141807D+01  0.299562D+00  0.325712D+00  0.667454D+00  0.146629D+00
      3  -0.311833D+00 -0.100162D+01  0.697461D+00  0.110686D+01  0.229679D+00
                96            97            98            99           100 
      1  -0.711602D+00 -0.385072D+00  0.429183D+01 -0.601760D+01  0.196118D+01
      2  -0.607968D+00 -0.471357D+01  0.311289D+00  0.453405D+01 -0.158788D+01
      3  -0.311855D+00  0.137096D+01 -0.119862D+01 -0.983855D-01  0.946563D+01
               101           102           103           104           105 
      1  -0.151950D+00 -0.226181D+01  0.824033D+00  0.421398D+01 -0.223900D+01
      2  -0.701232D+00  0.532453D+01  0.284074D+00 -0.154197D+01  0.932171D+00
      3  -0.109297D+02 -0.124807D+01 -0.183436D+01  0.130468D+02  0.231308D+01
               106           107           108           109           110 
      1  -0.141506D+01  0.367160D+01  0.159498D+01  0.125538D+01 -0.915591D-01
      2  -0.170589D+01  0.744348D+00 -0.126233D+01  0.178270D+01 -0.498948D+00
      3  -0.444414D+01  0.428536D+01  0.591289D+00  0.225889D+01  0.281715D+01
               111           112           113           114           115 
      1   0.209766D+01 -0.152280D+01  0.732338D+01 -0.111677D+01 -0.114800D+01
      2   0.717950D+00  0.189596D+00  0.297538D+01 -0.249132D+01 -0.415843D+01
      3  -0.743262D+00  0.111641D+02 -0.130970D+02 -0.311177D+01 -0.272300D+01
               116           117           118           119           120 
      1   0.277027D+01 -0.132008D+02 -0.304548D+00  0.153594D+00  0.590322D+00
      2   0.240232D+01 -0.170063D+02 -0.939462D+00 -0.374347D+00  0.185716D+01
      3  -0.368899D+01 -0.237660D+01  0.518310D+00 -0.849235D-01  0.823655D+00
               121           122           123           124           125 
      1  -0.301714D-01 -0.108519D+01 -0.676407D+00  0.293237D+00  0.369308D+01
      2   0.172969D-01 -0.121370D+01  0.100534D-01 -0.410033D+01 -0.478346D+00
      3   0.210468D+01 -0.991080D+00  0.135002D+01  0.214891D+01  0.241281D+01
               126           127           128           129           130 
      1  -0.376008D+01 -0.934707D-01 -0.817615D+00 -0.159231D+01  0.120068D+00
      2  -0.101638D+02 -0.376864D+00 -0.127417D+01  0.574386D+01  0.627481D+00
      3  -0.335809D+00  0.604942D+01 -0.657017D+01  0.621016D+00  0.636916D+01
               131           132           133           134           135 
      1  -0.821504D-01 -0.281583D+01  0.215817D+01  0.504311D+01 -0.138717D+02
      2   0.933723D+00 -0.117510D+01 -0.128431D+01 -0.317217D+01  0.115196D+02
      3  -0.569662D+01 -0.558960D+00  0.781558D+00 -0.115140D+01  0.236658D+01
               136           137           138           139           140 
      1  -0.130208D+01  0.668635D-01 -0.375377D+00  0.744556D+00 -0.127685D+01
      2   0.202119D+01  0.323836D-01  0.910791D+00  0.230839D+00  0.968842D+00
      3  -0.695833D+00 -0.132649D+01  0.171136D+01  0.710036D+00  0.102455D+01
               141           142           143           144           145 
      1  -0.635210D+00 -0.593691D+00  0.325129D+01 -0.886917D+01  0.300125D+01
      2  -0.173756D+00 -0.361538D+01  0.118596D+01  0.116684D+02  0.304408D+01
      3  -0.138634D+01  0.333839D+01 -0.185994D+01  0.740259D+00 -0.153846D+02
               146           147           148           149           150 
      1  -0.140618D+01  0.392651D+01 -0.100662D+01  0.129427D+01 -0.186124D+01
      2  -0.176643D+01  0.291939D+01 -0.122660D+01  0.108575D+01 -0.143507D+01
      3   0.190344D+01 -0.185096D+01  0.483679D+01 -0.259262D+01  0.765061D-01
               151           152           153           154           155 
      1   0.200795D+01 -0.984455D+00  0.608885D+00  0.142001D+01  0.841717D+00
      2   0.649033D+00 -0.129536D+01  0.563268D+00 -0.249885D+01 -0.118703D+01
      3  -0.398639D+01  0.100595D+00 -0.927580D+00 -0.975811D+01 -0.947354D+01
               156           157           158           159           160 
      1  -0.420939D+00  0.112696D+01  0.826509D+00 -0.400919D+00 -0.332520D+00
      2   0.411074D+01 -0.168024D+01 -0.165082D+01  0.327807D+01  0.176397D+01
      3   0.412379D-01 -0.690343D+01 -0.128583D+02  0.947387D+00  0.633497D+00
               161           162           163           164           165 
      1   0.926077D+00  0.352041D+00 -0.464491D+00  0.519933D+00  0.375179D+00
      2   0.765523D+00  0.449630D-01  0.484238D+00 -0.196818D+00 -0.338715D+00
      3   0.240281D+01 -0.547280D+00 -0.483101D+01  0.409270D+01  0.898696D+00
               166           167           168           169           170 
      1   0.405080D+00 -0.287308D+01 -0.400143D+01 -0.444450D+00 -0.129266D+01
      2  -0.352154D+00  0.678621D+00  0.184198D+01 -0.922620D+00  0.120746D+01
      3   0.739235D+01 -0.176287D+02 -0.166881D+01  0.224617D+01 -0.330365D+01
               171           172           173           174           175 
      1  -0.489407D+00 -0.942124D+00 -0.813359D+00 -0.173171D+01  0.113168D+01
      2   0.989615D-01 -0.349533D+01 -0.666846D+00  0.807118D+01  0.739196D+00
      3  -0.907670D+00 -0.828362D+01 -0.124158D+02  0.112613D+01 -0.793837D+01
               176           177           178           179           180 
      1   0.184220D+01 -0.348551D+01  0.209180D+01  0.385933D+01  0.269410D+00
      2  -0.132109D+01 -0.200335D+01  0.125066D+01 -0.132449D+00 -0.355065D+01
      3   0.200200D+02  0.737942D+00  0.139007D+01  0.370404D+01 -0.170347D+01
               181           182           183           184           185 
      1  -0.148346D+01  0.505808D+00  0.715950D+00  0.877698D+00 -0.502854D+01
      2  -0.130753D+01  0.512006D+00  0.142137D+01  0.429621D+00 -0.180409D+01
      3   0.220912D+01 -0.948945D+00  0.659919D+00  0.100500D+01  0.195281D+02
               186           187           188           189           190 
      1  -0.457461D+01  0.939595D+00 -0.153642D+01 -0.320102D+00  0.197884D+01
      2  -0.279672D+01  0.383363D+00 -0.279478D+01  0.247459D+00  0.350400D+01
      3   0.177681D+01  0.187487D+01  0.313443D+01  0.223455D+01  0.187311D-01
               191           192           193           194           195 
      1  -0.113652D+00 -0.625503D-01 -0.239803D+00  0.100108D+01  0.618553D+00
      2  -0.180795D+00  0.145753D+00 -0.876537D+00  0.242118D+01  0.115405D+01
      3  -0.129961D+01 -0.143701D+01 -0.981657D+00  0.129999D+01 -0.187961D+01
               196           197           198           199           200 
      1   0.643391D+00  0.284142D+01  0.126124D+02  0.843593D+00  0.760726D-01
      2  -0.292943D+01 -0.233914D+01  0.205274D+02 -0.204462D+01 -0.142744D+00
      3  -0.246713D+01 -0.340947D+01  0.234633D+01 -0.345498D+00  0.714597D-01
               201           202           203           204           205 
      1   0.939006D+00  0.585206D+00  0.233370D+01 -0.331561D+01 -0.308781D+01
      2  -0.688248D+00 -0.786152D+00 -0.214574D+01  0.299403D+01 -0.288660D-01
      3  -0.979101D+00  0.466293D+00 -0.194026D+01  0.130130D+01 -0.326913D+01
               206           207           208           209           210 
      1  -0.386944D+01  0.157844D+02 -0.317237D+00  0.248520D+00 -0.751570D+00
      2   0.573982D+01 -0.134206D+02  0.776182D-01  0.133860D+00  0.421047D+00
      3   0.407925D+01 -0.291696D+01 -0.449702D+01  0.350829D+01  0.367797D+00
               211           212           213           214           215 
      1  -0.130109D-02 -0.347082D+01  0.755041D-01 -0.684607D+00  0.993421D+00
      2  -0.239935D+00 -0.609068D+00  0.470291D+01  0.971577D-01  0.136562D+01
      3   0.550867D+01 -0.283288D+02  0.571648D+00  0.104460D+01 -0.130986D+01
               216 
      1   0.832430D-01
      2  -0.966524D+00
      3  -0.767317D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.155362D+01 -0.688314D+01 -0.201801D+00 -0.393534D+01  0.955717D+01
      2   0.187280D+01  0.948659D+01 -0.532774D+00  0.528520D+01 -0.192330D+02
      3  -0.342642D+01 -0.260345D+01  0.734576D+00 -0.134985D+01  0.967580D+01
      4  -0.342166D+01 -0.103828D+01 -0.393798D+00 -0.768873D+01  0.774053D+01
      5   0.120179D+01 -0.964949D+00  0.190184D+00 -0.271771D+01  0.100486D+01
      6   0.106335D+01  0.132904D+01  0.831894D+00  0.239486D+01 -0.499399D+01
                 6             7             8             9            10 
      1   0.149907D+01  0.130373D+01  0.357249D+01  0.714862D+01 -0.163138D+02
      2  -0.250080D+00 -0.123790D+00 -0.934246D+01  0.461361D+01  0.725543D+01
      3  -0.124899D+01 -0.117994D+01  0.576997D+01 -0.117622D+02  0.905839D+01
      4   0.165386D+01 -0.186676D+01  0.273981D+01 -0.271166D+00  0.875027D+01
      5   0.733121D+00  0.177661D+01  0.845519D+00 -0.113149D+02 -0.562602D+01
      6  -0.697358D+01 -0.355755D+00 -0.915615D+00  0.212580D+02  0.771952D-01
                11            12            13            14            15 
      1   0.375225D+01 -0.777351D-01  0.815579D+01  0.570428D+01  0.921039D+00
      2  -0.586495D+00  0.277953D+01 -0.497931D+01 -0.932640D+00 -0.161190D+01
      3  -0.316576D+01 -0.270179D+01 -0.317648D+01 -0.477164D+01  0.690861D+00
      4  -0.314385D+01  0.591405D+00  0.547193D+01 -0.510144D+01 -0.122532D+01
      5   0.520294D+00 -0.339360D+01  0.236791D+01  0.173065D+00 -0.325636D+01
      6  -0.198759D+01  0.207179D+01 -0.109022D+01  0.118055D+00  0.784429D+00
                16            17            18            19            20 
      1  -0.930389D+01  0.171893D+01  0.634526D+01 -0.571940D+01  0.977702D+00
      2   0.271846D+01 -0.172784D+01  0.643652D+01  0.457552D+00 -0.593727D+01
      3   0.658543D+01  0.891200D-02 -0.127818D+02  0.526185D+01  0.495957D+01
      4   0.525986D+01 -0.289958D+01 -0.287406D+01 -0.510693D+01 -0.776214D+01
      5  -0.355994D+00 -0.265202D+01  0.311778D+02  0.222769D+01  0.126383D+01
      6   0.141731D+00  0.403661D+00  0.133769D+01 -0.684857D+00  0.125776D+01
                21            22            23            24            25 
      1  -0.104709D+01 -0.668582D+01 -0.391572D+01 -0.149985D+01  0.237714D+01
      2  -0.179735D+01  0.117999D+01  0.314632D+01 -0.216486D+00  0.606037D+00
      3   0.284444D+01  0.550583D+01  0.769400D+00  0.171633D+01 -0.298318D+01
      4   0.143463D+00 -0.923606D+01 -0.229366D+01 -0.377004D+00  0.358372D+01
      5  -0.370531D+01  0.170925D+01  0.130285D+00 -0.107851D+01  0.994774D+00
      6  -0.190434D+01 -0.130505D+00  0.234965D+01 -0.117606D+01  0.241407D+00
                26            27            28            29            30 
      1   0.530673D+00  0.541238D+01 -0.847526D+01  0.908790D+01 -0.336492D+01
      2   0.116145D+01  0.873665D+01  0.320708D+01 -0.734392D+01  0.199364D+00
      3  -0.169213D+01 -0.141490D+02  0.526818D+01 -0.174399D+01  0.316556D+01
      4   0.323182D+01  0.167562D+01 -0.171426D+01 -0.708955D+01  0.243981D+01
      5   0.928402D+00 -0.108120D+02 -0.346925D+01  0.134883D+01 -0.820032D+01
      6   0.321904D+01 -0.127686D+02  0.377137D+01 -0.833373D+00  0.440486D+00
                31            32            33            34            35 
      1   0.642019D+01  0.328140D+01 -0.353468D+01 -0.149095D+01 -0.228642D+00
      2  -0.420343D+01 -0.316240D+01  0.267593D-01 -0.186595D+01  0.163840D+01
      3  -0.221676D+01 -0.119003D+00  0.350792D+01  0.335690D+01 -0.140976D+01
      4  -0.611657D+01 -0.130018D+02 -0.109694D+01  0.113571D+01 -0.166652D+01
      5  -0.273601D-01 -0.369388D+00 -0.452827D+01 -0.250453D+01  0.981799D-02
      6  -0.423304D+00  0.151746D+01 -0.183819D+01  0.584367D+00  0.141698D+00
                36            37            38            39            40 
      1   0.529825D+01  0.194914D+01 -0.196021D+01 -0.120928D+01  0.466330D+00
      2   0.609366D+01  0.368539D+00  0.177327D+01 -0.366427D+00  0.341577D+00
      3  -0.113919D+02 -0.231768D+01  0.186944D+00  0.157570D+01 -0.807907D+00
      4   0.340644D+00 -0.237944D+01  0.153605D+02 -0.164618D+01  0.133725D+02
      5   0.238867D+02  0.159982D+01 -0.288930D+00  0.175817D+02 -0.146955D+01
      6  -0.100500D+02 -0.159330D+01  0.176455D+01  0.213572D+01 -0.433706D+00
                41            42            43            44            45 
      1  -0.141600D+02  0.399419D+01  0.853450D+00  0.271092D+01 -0.614654D+01
      2   0.193240D+02 -0.883135D+00 -0.181509D+01 -0.337634D+01 -0.100229D+01
      3  -0.516398D+01 -0.311105D+01  0.961638D+00  0.665419D+00  0.714883D+01
      4   0.262127D+01 -0.383685D+00 -0.644358D+01 -0.273341D+00 -0.134893D+01
      5  -0.852574D+00  0.176122D+01  0.482777D+01 -0.206991D+00  0.209034D+01
      6  -0.346594D+01  0.524196D+01 -0.845089D+00  0.643361D+01  0.132733D+01
                46            47            48            49            50 
      1  -0.955463D+01  0.399183D+01  0.432596D+01 -0.851090D+01 -0.247118D+01
      2   0.533058D+01 -0.824924D+01 -0.133885D+01  0.555584D+00 -0.465009D+01
      3   0.422405D+01  0.425741D+01 -0.298711D+01  0.795532D+01  0.712128D+01
      4   0.301498D+01 -0.180526D+02 -0.145237D+01 -0.160074D+02 -0.327489D+01
      5   0.301790D-01 -0.105885D+01 -0.938039D+01  0.208682D+01  0.123737D+00
      6  -0.776031D+00 -0.262501D+01 -0.169530D+01  0.523899D+00  0.126187D+01
                51            52            53            54            55 
      1  -0.840284D+00  0.414512D+01 -0.922453D+00  0.849374D+01 -0.368484D+01
      2  -0.130722D+01  0.121715D+01  0.648593D+01  0.820972D+01 -0.289072D+01
      3   0.214750D+01 -0.536226D+01 -0.556348D+01 -0.167035D+02  0.657556D+01
      4   0.115694D+01  0.190561D+01  0.225178D+01  0.181786D+01  0.206837D+02
      5   0.457824D+01 -0.197081D+01 -0.405731D-02 -0.266007D+02 -0.209870D+01
      6  -0.932524D+00  0.437800D+00  0.142057D+00 -0.231111D+02  0.625616D+01
                56            57            58            59            60 
      1   0.513902D+00 -0.261564D+01  0.299426D+01 -0.304331D+02 -0.543549D+01
      2   0.464769D+01  0.545455D+00 -0.163539D+01  0.463904D+02  0.419116D+01
      3  -0.516159D+01  0.207019D+01 -0.135888D+01 -0.159573D+02  0.124434D+01
      4  -0.455184D+01  0.504365D+01  0.324319D+01 -0.132354D+02 -0.348115D+01
      5   0.893486D+00  0.342590D+01  0.144485D+01 -0.244558D+01 -0.165457D+01
      6  -0.160135D+01  0.236371D+01 -0.258279D+01  0.997755D+01  0.116680D+02
                61            62            63            64            65 
      1  -0.193891D+01 -0.931210D+01 -0.792439D+01  0.114697D+00  0.624606D+00
      2  -0.143786D+01  0.152188D+02  0.360489D+01 -0.318405D+01 -0.863713D+00
      3   0.337677D+01 -0.590665D+01  0.431950D+01  0.306936D+01  0.239107D+00
      4   0.101767D+02 -0.906885D+01 -0.186828D+01  0.833529D+00  0.209057D+01
      5   0.340292D+01 -0.335017D+01 -0.230954D+01  0.122520D+01 -0.100980D+01
      6  -0.381489D+00  0.131255D+02  0.621102D+01 -0.291988D+01 -0.535702D+00
                66            67            68            69            70 
      1   0.172755D+01  0.563322D+00 -0.411371D+01  0.252959D+01  0.195745D+01
      2  -0.607843D+00 -0.784264D+00  0.293334D+01 -0.345369D+01 -0.590406D+00
      3  -0.111971D+01  0.220942D+00  0.118037D+01  0.924101D+00 -0.136705D+01
      4  -0.248747D+01  0.197395D+01 -0.129454D+01  0.125896D+01 -0.346387D+01
      5   0.607302D+01  0.664604D-02  0.110684D+01 -0.312493D-01  0.384386D+01
      6   0.938770D+00 -0.953411D-01 -0.351076D+01  0.633278D+01 -0.310330D+00
                71            72            73            74            75 
      1   0.484856D+01 -0.151689D+02  0.234062D+02 -0.197423D+02  0.386128D+01
      2  -0.463625D+01 -0.119986D+02 -0.126909D+02  0.101010D+02 -0.495844D+01
      3  -0.212305D+00  0.271675D+02 -0.107153D+02  0.964128D+01  0.109715D+01
      4   0.293675D+01 -0.475912D+00 -0.256594D+02  0.541134D+01 -0.371383D+00
      5  -0.104538D+01  0.993862D+01  0.851476D+01 -0.952958D-02  0.789802D+01
      6   0.600948D+01 -0.214217D+02 -0.239547D+01  0.859236D+00 -0.256826D+01
                76            77            78            79            80 
      1  -0.384238D+02 -0.574441D+01 -0.728068D-01  0.166261D+02 -0.178256D+00
      2   0.218106D+02  0.750958D+01  0.115107D+01 -0.105909D+02  0.163549D+00
      3   0.166132D+02 -0.176517D+01 -0.107826D+01 -0.603518D+01  0.147064D-01
      4   0.576716D+01 -0.196585D+02  0.450482D+01 -0.346473D+01  0.714286D+01
      5  -0.267680D+01  0.489147D+01 -0.637700D+01  0.131483D+02 -0.356622D+01
      6   0.270063D+00 -0.181456D+01  0.530480D+01 -0.244618D+01  0.403818D+01
                81            82            83            84            85 
      1   0.313055D+01  0.275682D+01 -0.103400D+01 -0.428212D+01 -0.568107D+00
      2  -0.662149D+01 -0.409291D+01  0.495574D+00  0.250273D+01  0.206737D+00
      3   0.349094D+01  0.133609D+01  0.538424D+00  0.177939D+01  0.361369D+00
      4  -0.382159D+01 -0.996094D+00  0.105103D+01  0.206358D+00  0.138429D+01
      5   0.547438D+01 -0.430622D+01 -0.253945D+00  0.630859D+01 -0.535353D+00
      6  -0.105678D+01  0.230569D+00  0.333853D-01  0.206350D+00 -0.119928D+01
                86            87            88            89            90 
      1  -0.356645D+01  0.328080D+00 -0.683046D+01  0.144391D+00 -0.132086D+02
      2   0.294038D+00  0.850938D+00  0.570603D+01  0.569249D+00 -0.147402D+02
      3   0.327242D+01 -0.117902D+01  0.112443D+01 -0.713640D+00  0.279488D+02
      4   0.173090D+01 -0.414702D+01  0.441825D-01 -0.511344D+01  0.132633D+01
      5  -0.418245D+01  0.228745D+01  0.701047D+01  0.164527D+01 -0.288761D+02
      6  -0.156218D+00  0.752064D+01 -0.525135D-01  0.447441D+01  0.108009D+01
                91            92            93            94            95 
      1   0.204655D+00 -0.363489D+00  0.204445D+01 -0.392535D+00 -0.195493D+01
      2  -0.258578D+01  0.621314D+00 -0.515370D+00  0.559285D+00 -0.869254D+00
      3   0.238113D+01 -0.257825D+00 -0.152908D+01 -0.166750D+00  0.282418D+01
      4  -0.222637D+00  0.231340D+01  0.145445D+01  0.285750D+01  0.200024D-01
      5   0.167738D+01  0.150391D+00  0.538024D+01 -0.203970D+00  0.116745D+01
      6   0.163598D+01 -0.216363D+00 -0.664997D+00  0.282030D+00  0.133174D+01
                96            97            98            99           100 
      1  -0.415093D+00  0.224300D+01 -0.204118D+01 -0.154786D+02  0.233449D+02
      2   0.224170D+01 -0.169111D+01  0.302780D+01 -0.145387D+02 -0.941276D+01
      3  -0.182661D+01 -0.551895D+00 -0.986623D+00  0.300173D+02 -0.139321D+02
      4   0.145541D+01  0.249226D+01  0.269300D+01  0.106070D+00  0.202873D+02
      5  -0.746761D+00  0.466373D+01  0.218309D+00  0.107537D+02 -0.338835D+01
      6   0.589361D+01  0.392976D+00  0.424655D+01  0.125186D+02 -0.230274D+01
               101           102           103           104           105 
      1  -0.494008D+01 -0.170414D+01 -0.892028D+00  0.153180D+02  0.363739D+01
      2   0.125885D+02  0.315161D+01  0.563054D+01 -0.157733D+02 -0.365330D+01
      3  -0.764839D+01 -0.144747D+01 -0.473851D+01  0.455238D+00  0.159080D-01
      4   0.215643D+02 -0.152211D+01  0.168957D+02 -0.405131D+00 -0.223740D+01
      5  -0.215742D+00  0.938056D+01 -0.489625D+00 -0.393228D+01  0.133117D+01
      6   0.226316D+00  0.383035D+01  0.354126D+00 -0.537352D+01  0.504980D+01
               106           107           108           109           110 
      1  -0.551431D+01  0.508944D+01 -0.202657D+00 -0.844490D+01 -0.905226D+01
      2   0.241474D+01 -0.842334D+01 -0.284773D+01  0.679551D+01  0.364431D+01
      3   0.309958D+01  0.333390D+01  0.305038D+01  0.164939D+01  0.540795D+01
      4  -0.603323D+01 -0.732711D+01  0.377043D+01 -0.113781D+02  0.163694D+01
      5   0.779237D+01  0.246962D+01 -0.199559D+01  0.999564D+01 -0.251078D+01
      6   0.465276D+01  0.518325D+01 -0.298889D+01 -0.630899D+01  0.368499D+01
               111           112           113           114           115 
      1   0.139905D+01 -0.236667D+02  0.105561D+02  0.171498D+01  0.175907D+02
      2  -0.416501D+01  0.181678D+02 -0.268859D+02 -0.589696D+01 -0.754427D+01
      3   0.276596D+01  0.549888D+01  0.163298D+02  0.418198D+01 -0.100464D+02
      4  -0.490751D+01 -0.577949D+01  0.309710D+02  0.497340D+01 -0.149568D+01
      5  -0.200640D+01  0.126542D+01  0.503659D+01 -0.465793D+01 -0.639081D+00
      6  -0.358685D+01  0.436098D+00 -0.330964D+01  0.477827D+00  0.566395D+00
               116           117           118           119           120 
      1   0.125304D+01  0.149695D+02  0.246990D+01 -0.163516D+01 -0.193989D+01
      2  -0.456809D+01  0.613336D+01 -0.366910D+01  0.912010D+00  0.136291D+01
      3   0.331505D+01 -0.211029D+02  0.119920D+01  0.723151D+00  0.576983D+00
      4   0.711461D+01  0.473626D+01 -0.221191D+01  0.243576D+01  0.916223D+00
      5   0.459630D+01 -0.364293D+02 -0.272188D+01 -0.170215D+00  0.774772D+01
      6  -0.196509D+01  0.167220D+02  0.103068D+01  0.816096D-01 -0.676001D+00
               121           122           123           124           125 
      1  -0.142664D+01 -0.366725D+01 -0.654103D+00 -0.480372D+01 -0.109567D+01
      2   0.467369D+00  0.112381D+01  0.136116D+01  0.576625D+01  0.758211D+00
      3   0.959272D+00  0.254344D+01 -0.707059D+00 -0.962527D+00  0.337460D+00
      4   0.272567D+01  0.435192D+00 -0.197538D+01  0.305027D+01 -0.264716D+01
      5   0.305071D-02 -0.271610D+01  0.622240D+00  0.674194D+01 -0.109224D+01
      6  -0.593592D+00  0.154296D+01  0.676931D+01 -0.115562D+01  0.481934D+01
               126           127           128           129           130 
      1  -0.154454D+02  0.179716D+02  0.117601D+01  0.218991D+00  0.584755D+01
      2  -0.130382D+02 -0.134371D+01  0.100297D+02  0.955508D+00  0.588482D+01
      3   0.284836D+02 -0.166279D+02 -0.112057D+02 -0.117450D+01 -0.117324D+02
      4  -0.124246D+01  0.235578D+02  0.276540D+02  0.286101D-01  0.263244D+02
      5  -0.193681D+02 -0.172725D+01 -0.262032D+00  0.781880D+01  0.528233D+00
      6   0.976894D+01 -0.129814D+00 -0.519768D+00  0.372097D+01  0.123335D+01
               131           132           133           134           135 
      1  -0.689363D+01 -0.118948D+01 -0.190230D-01 -0.427781D+01  0.563708D+01
      2   0.268918D+02  0.201753D+01  0.954750D+00  0.420996D+01 -0.229324D+01
      3  -0.199982D+02 -0.828053D+00 -0.935727D+00  0.678513D-01 -0.334385D+01
      4   0.290018D+02  0.227025D+01  0.489013D+01  0.676291D+01 -0.223735D+01
      5   0.181226D+01 -0.125143D+01  0.408476D+01 -0.281498D+01  0.196905D+02
      6   0.193972D+01  0.311613D+01  0.461996D+00 -0.901061D+00  0.238563D+02
               136           137           138           139           140 
      1   0.237483D+00  0.568633D+00  0.336578D+01 -0.374608D+00 -0.295518D+01
      2  -0.266997D+01  0.577044D-02 -0.144690D+01  0.110805D+01  0.128658D+01
      3   0.243249D+01 -0.574404D+00 -0.191889D+01 -0.733437D+00  0.166860D+01
      4   0.129055D+01  0.386670D+01  0.284039D+01  0.393996D+01  0.146746D+01
      5   0.366086D+01  0.686003D+00  0.719683D+01 -0.366785D+00  0.237782D+01
      6   0.321844D+01 -0.150513D+00  0.467834D+00  0.129746D+00  0.331321D+01
               141           142           143           144           145 
      1  -0.177176D+01  0.281479D+01 -0.402793D+01 -0.164936D+02  0.106889D+02
      2   0.328318D+01 -0.326652D+01  0.240949D+01 -0.131675D+02  0.497247D+01
      3  -0.151143D+01  0.451731D+00  0.161844D+01  0.296611D+02 -0.156614D+02
      4   0.189659D+01  0.542545D+01  0.520708D+01  0.291379D+01 -0.313986D+02
      5  -0.601532D+00  0.767249D+01  0.324282D+01  0.219716D+02 -0.399341D-01
      6   0.668280D+01  0.290987D+01  0.760566D+01  0.222047D+02 -0.305328D+01
               146           147           148           149           150 
      1   0.891400D+00  0.188159D+01 -0.804687D+00 -0.233651D+01  0.395393D+00
      2  -0.135357D+02  0.599399D+00 -0.656164D+01  0.114605D+02 -0.155530D+01
      3   0.126443D+02 -0.248099D+01  0.736632D+01 -0.912404D+01  0.115990D+01
      4   0.230976D+02 -0.275542D+01  0.154609D+02 -0.129099D+02  0.151688D+01
      5   0.335526D+00  0.353498D+01  0.299410D+00  0.472066D+00 -0.195044D+01
      6   0.674327D+00 -0.597341D+01  0.916012D+00 -0.120009D+01  0.322084D+01
               151           152           153           154           155 
      1   0.173108D+01  0.131501D+01 -0.664412D+00  0.451151D+02  0.144381D+02
      2   0.957663D+00 -0.394011D+01  0.916407D+00 -0.247078D+02 -0.834179D+01
      3  -0.268874D+01  0.262510D+01 -0.251996D+00 -0.204073D+02 -0.609634D+01
      4  -0.646649D+01  0.447733D+01 -0.451351D+01  0.115980D+02  0.123023D+02
      5   0.388637D+01 -0.237171D+01  0.963607D+00  0.609236D+00  0.184396D+00
      6  -0.407806D+01  0.486409D+01 -0.999978D+00  0.120006D+01  0.101034D+01
               156           157           158           159           160 
      1  -0.101138D+01  0.301638D+02  0.109639D+02  0.138450D+00 -0.544389D+01
      2  -0.129019D+00 -0.172469D+02 -0.468178D+01 -0.779264D+00  0.317657D+01
      3   0.114040D+01 -0.129169D+02 -0.628211D+01  0.640814D+00  0.226732D+01
      4  -0.989591D-01  0.124497D+02  0.135961D+02 -0.109216D+01 -0.950512D+00
      5   0.677504D+01  0.121845D+01 -0.120519D+01  0.492655D+01  0.746821D+01
      6   0.233176D-01  0.121471D+01  0.948689D+00  0.225329D+00  0.586788D+00
               161           162           163           164           165 
      1  -0.113488D+01  0.413253D+01 -0.122905D+01  0.531700D+01  0.692453D+00
      2   0.550239D+00 -0.398699D+01  0.252892D+01 -0.610686D+01 -0.800706D+00
      3   0.584639D+00 -0.145541D+00 -0.129986D+01  0.789860D+00  0.108254D+00
      4  -0.221833D+01  0.153915D+01 -0.103331D+01  0.586999D+00  0.575107D+00
      5   0.183207D+01  0.201877D+00  0.468263D+00 -0.261451D+00 -0.285969D+00
      6   0.143023D+01 -0.481452D+00  0.108477D+01 -0.411702D+00 -0.204460D+00
               166           167           168           169           170 
      1   0.503508D+01 -0.254192D+02 -0.151207D+01  0.144627D+01 -0.431845D+01
      2  -0.101665D+01  0.419522D+02  0.293308D+01 -0.955199D+00  0.591118D+01
      3  -0.401844D+01 -0.165329D+02 -0.142101D+01 -0.491070D+00 -0.159273D+01
      4   0.753170D+01  0.228776D+02  0.142179D+01  0.125537D+01  0.349405D+01
      5  -0.780642D-01  0.243706D+01  0.343696D+01  0.152486D+01  0.245584D+01
      6  -0.106175D+00  0.309362D+01  0.561795D+01  0.825662D+00  0.634002D+01
               171           172           173           174           175 
      1  -0.350744D+01  0.711926D+02  0.135105D+01 -0.475275D+01  0.104186D+01
      2   0.305782D+01 -0.410452D+02  0.910998D-01  0.639518D+01 -0.232856D+01
      3   0.449625D+00 -0.301474D+02 -0.144214D+01 -0.164243D+01  0.128670D+01
      4   0.246718D+01 -0.502602D+01  0.130309D+02  0.257665D+01  0.196997D+02
      5   0.195331D+00 -0.109219D+02  0.145412D+01  0.145027D+02  0.951512D+00
      6   0.127681D+01  0.298045D+01 -0.180778D+01  0.108446D+01 -0.124445D+01
               176           177           178           179           180 
      1   0.113554D+02  0.283233D+01 -0.195166D+02  0.243120D+00  0.692724D+01
      2  -0.188233D+01  0.404158D+00  0.119495D+02 -0.670390D+00 -0.106861D+02
      3  -0.947305D+01 -0.323649D+01  0.756710D+01  0.427270D+00  0.375887D+01
      4  -0.264164D+02 -0.368105D+01  0.159757D+01 -0.499085D+01 -0.175078D+01
      5  -0.395463D+01 -0.362749D+01  0.186860D+02  0.802812D-01 -0.739042D+01
      6   0.138041D+01  0.704567D+01 -0.227941D+01  0.365008D+01 -0.103302D+00
               181           182           183           184           185 
      1   0.307652D+01 -0.598762D+01 -0.259199D+01 -0.589740D+01 -0.174567D+02
      2   0.272613D+01  0.130695D+01  0.854528D+00 -0.386447D+01  0.416962D+02
      3  -0.580265D+01  0.468068D+01  0.173746D+01  0.976187D+01 -0.242395D+02
      4  -0.818155D+01  0.100754D+02  0.137623D+01  0.186362D+02 -0.464205D+02
      5  -0.232199D+01  0.375752D+00  0.251111D+01  0.811756D-01 -0.279206D+01
      6   0.154918D+01 -0.386966D+00 -0.924763D+00  0.204369D+00  0.156950D+01
               186           187           188           189           190 
      1  -0.155186D+01 -0.473668D+01 -0.283910D+01 -0.343365D+01  0.991252D+00
      2   0.369569D+01  0.114838D+01  0.618213D+01  0.270775D+01 -0.382380D+01
      3  -0.214383D+01  0.358831D+01 -0.334303D+01  0.725904D+00  0.283255D+01
      4  -0.315866D+01  0.419194D+01 -0.780597D+01 -0.609302D+01  0.606321D+00
      5  -0.551490D+01  0.343974D+01 -0.614012D+01  0.760336D+00  0.611710D+01
      6   0.639340D+01 -0.195788D+01  0.722298D+01  0.155697D+01 -0.191979D+01
               191           192           193           194           195 
      1   0.107123D+01  0.722096D+01  0.483665D+01 -0.405311D+01  0.878317D+00
      2  -0.102883D+01 -0.350481D+01 -0.375929D+01  0.321540D+01 -0.242161D+01
      3  -0.423989D-01 -0.371615D+01 -0.107736D+01  0.837711D+00  0.154329D+01
      4   0.151055D+01 -0.208520D+01  0.139540D+01 -0.427116D+01  0.425803D+01
      5  -0.687243D+00  0.594721D+01  0.191651D-01  0.455436D+01  0.255401D+01
      6  -0.561889D+00  0.482180D+00  0.526807D+00 -0.171723D+01  0.417433D+01
               196           197           198           199           200 
      1   0.944116D+01  0.326295D+01 -0.186474D+02  0.178762D+01  0.261268D+01
      2  -0.712069D+01 -0.192883D+01 -0.131040D+02 -0.135172D+01 -0.155721D+01
      3  -0.232048D+01 -0.133412D+01  0.317514D+02 -0.435899D+00 -0.105548D+01
      4  -0.466899D+01  0.672889D+01 -0.605955D+01  0.235799D+01  0.164536D+01
      5   0.976807D+01 -0.613155D+01  0.432321D+02 -0.181741D+01 -0.591679D+00
      6  -0.256979D+01  0.789290D+01 -0.196208D+02 -0.193546D+01  0.888101D+00
               201           202           203           204           205 
      1  -0.335443D+01  0.738240D+00 -0.502089D+01  0.235930D+01 -0.476334D+01
      2   0.147421D+01  0.762781D+00  0.759162D+01 -0.410378D+01  0.165991D+01
      3   0.188022D+01 -0.150102D+01 -0.257073D+01  0.174448D+01  0.310342D+01
      4  -0.189004D+01  0.305110D+01  0.526592D+01 -0.354160D+01 -0.950584D+01
      5   0.663482D+00 -0.122072D+01 -0.309423D+01  0.477105D+01  0.649504D+01
      6  -0.185579D+01 -0.146211D+01 -0.547083D+01  0.761443D+01  0.533657D+01
               206           207           208           209           210 
      1   0.747466D+01 -0.103703D+02  0.147654D+01  0.658407D+01  0.101717D+01
      2  -0.905309D+01  0.182464D+01  0.495573D+00 -0.283281D+01 -0.457951D+00
      3   0.157843D+01  0.854562D+01 -0.197211D+01 -0.375127D+01 -0.559219D+00
      4  -0.119388D+02  0.992586D+01  0.676947D+01 -0.184484D-01 -0.289738D+00
      5   0.966241D+01 -0.233352D+02  0.812518D+00 -0.635339D+00  0.985922D+00
      6   0.143344D+02 -0.282581D+02 -0.785779D-01 -0.171648D+00  0.145634D+01
               211           212           213           214           215 
      1   0.246354D+02 -0.189221D+01 -0.161209D+01  0.203078D+01 -0.649145D+00
      2  -0.142203D+02  0.189075D+01  0.169917D+01 -0.107470D+01  0.518945D+00
      3  -0.104151D+02  0.145998D-02 -0.870736D-01 -0.956086D+00  0.130201D+00
      4  -0.116605D+01  0.335755D+02 -0.267995D+00 -0.649095D+00  0.116909D+01
      5  -0.219594D+01  0.256615D+00  0.827443D+01  0.442897D+01  0.240885D+01
      6   0.576950D+00 -0.103948D+01 -0.126372D+01  0.313881D+00  0.218163D+01
               216 
      1   0.123006D+01
      2  -0.227658D+01
      3   0.104652D+01
      4   0.193740D+01
      5  -0.220353D+01
      6   0.342972D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x         -0.113523D+01     -0.288546D+01     -0.962485D+01
   y          0.398650D+00      0.101327D+01      0.337990D+01
   z          0.537424D+00      0.136600D+01      0.455647D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.105979D+03      0.157044D+02      0.174735D+02
   yx         0.114144D+01      0.169144D+00      0.188198D+00
   yy         0.945386D+02      0.140092D+02      0.155873D+02
   zx        -0.254045D+00     -0.376456D-01     -0.418864D-01
   zy        -0.148329D+01     -0.219801D+00     -0.244561D+00
   zz         0.780443D+02      0.115650D+02      0.128678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102371D+03      0.151699D+02      0.168787D+02
   aniso      0.256717D+02      0.380415D+01      0.423269D+01
   xx         0.116187D+03      0.172171D+02      0.191566D+02
   yx         0.102008D+01      0.151160D+00      0.168188D+00
   yy         0.103977D+03      0.154078D+02      0.171435D+02
   zx        -0.298449D+00     -0.442255D-01     -0.492075D-01
   zy        -0.170784D+01     -0.253076D+00     -0.281585D+00
   zz         0.869500D+02      0.128847D+02      0.143361D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.46931091          2.02747399          1.58195940
     6         -1.10579135         -0.40903642          2.94755119
     6          1.40243364          1.49971992         -0.52409182
     6          0.38182666         -0.55958918         -2.27834944
     8         -0.14788523         -2.77139472         -0.82398702
     6         -2.00752676         -2.39563240          1.05196742
     8          0.64666279          3.85330801          3.20653699
     1         -2.20909908          2.79314114          0.75012765
     8         -2.99412884          0.14617922          4.76506721
     1          0.61021455         -1.13229358          3.86791735
     1          3.16961158          0.81670938          0.32022244
     8          1.87591637          3.71579653         -1.97213244
     6          2.25393390         -1.31475292         -4.33387510
     1         -1.35359492          0.12154548         -3.18874467
     8         -2.49853466         -4.70414972          2.23212530
     1         -3.80018472         -1.79511092          0.20201081
     1         -0.50218887          4.15209055          4.58974911
     1         -3.55491245         -1.42930919          5.49312600
     1          2.27338563          5.05958025         -0.80386280
     8          2.50367489          0.56289923         -6.21628078
     1          1.55472097         -3.01685517         -5.25979082
     1          4.07806013         -1.77192234         -3.45511516
     1         -0.89240978         -5.46431830          2.65743091
     1          2.80733791          2.15654477         -5.37469792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.131776D+01      0.334940D+01      0.111724D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.843748D+02      0.125031D+02      0.139115D+02
   yx         0.472793D+01      0.700607D+00      0.779531D+00
   yy         0.946838D+02      0.140307D+02      0.156112D+02
   zx        -0.108329D+02     -0.160527D+01     -0.178610D+01
   zy        -0.116012D+01     -0.171912D+00     -0.191278D+00
   zz         0.995029D+02      0.147448D+02      0.164058D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102371D+03      0.151699D+02      0.168787D+02
   aniso      0.256717D+02      0.380415D+01      0.423269D+01
   xx         0.934609D+02      0.138495D+02      0.154096D+02
   yx         0.470732D+01      0.697553D+00      0.776133D+00
   yy         0.104190D+03      0.154393D+02      0.171786D+02
   zx        -0.113827D+02     -0.168675D+01     -0.187676D+01
   zy        -0.120620D+01     -0.178741D+00     -0.198876D+00
   zz         0.109463D+03      0.162208D+02      0.180480D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F16-37\Freq\RLC-PBEPBE\Gen\C6H12O6\PIERPA\17-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=029600000
 0,3/108=0296000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\C,-0.639995,1.210425,-0.19711\C,-1.660478,0.
 16116,0.197504\C,0.736747,0.79551,0.286144\C,1.079369,-0.604203,-0.228
 054\O,0.067145,-1.517619,0.198419\C,-1.216562,-1.213556,-0.304644\O,-0
 .922508,2.483202,0.369953\H,-0.621099,1.285662,-1.292336\O,-2.907145,0
 .541846,-0.359981\H,-1.721531,0.11875,1.294206\H,0.727111,0.765851,1.3
 83318\O,1.732438,1.706543,-0.165282\C,2.410891,-1.123511,0.302675\H,1.
 126892,-0.58294,-1.324712\O,-2.103572,-2.214928,0.095778\H,-1.21881,-1
 .22811,-1.401446\H,-1.811275,2.739925,0.096905\H,-3.533704,-0.176051,-
 0.206287\H,1.430942,2.597378,0.052923\O,3.515463,-0.471377,-0.290315\H
 ,2.491301,-2.182395,0.056578\H,2.421925,-1.030336,1.39709\H,-1.970048,
 -2.365618,1.041455\H,3.363901,0.481596,-0.225378\\Version=ES64L-G16Rev
 A.03\State=1-A\HF=-687.5092322\RMSD=8.976e-09\RMSF=1.671e-05\ZeroPoint
 =0.1969687\Thermal=0.2092765\Dipole=-1.1352258,0.39865,0.5374241\Dipol
 eDeriv=0.1943411,-0.1513093,-0.074724,-0.1283592,0.6964717,0.1281566,-
 0.073601,0.1408925,0.3175172,0.6539041,-0.1600404,0.1646511,-0.0659958
 ,0.001985,-0.0218611,0.1585944,-0.1021803,0.3210782,0.4741435,0.325376
 ,-0.0562069,0.2252886,0.3876713,-0.1014129,-0.0744823,-0.1040817,0.298
 2415,0.535845,0.1647115,-0.0572741,0.2657868,0.4222185,-0.006811,-0.19
 53856,-0.0039887,0.2819261,-1.352452,-0.2070664,-0.0029635,-0.0725059,
 -0.6141356,0.0562591,-0.0936559,0.0175897,-0.386755,1.2334976,0.235385
 3,-0.0053885,0.1568342,0.8820923,-0.0704029,0.1092671,-0.0545984,0.500
 7302,-0.4803497,0.1603788,0.1088662,0.1401205,-0.9983824,-0.0845399,0.
 1204959,-0.134945,-0.4382866,0.0202559,0.0042719,0.0118713,0.0144976,-
 0.0294493,-0.0136089,0.0203195,-0.0348875,-0.141462,-0.9950988,0.12356
 39,-0.1296231,0.1675817,-0.4069271,-0.0365269,-0.1631821,-0.0358194,-0
 .4639263,-0.0256641,0.0044301,-0.0139869,0.0111885,0.0073102,0.0269294
 ,-0.0314854,0.0345726,-0.1659375,-0.0143582,-0.029064,0.0114173,-0.020
 2935,-0.0011721,0.0215772,0.0270778,0.0340561,-0.1449616,-0.7727972,-0
 .2333681,0.0033392,-0.3004027,-0.705037,0.0991961,0.0283381,0.1239869,
 -0.4191667,0.641767,0.1151392,-0.1312966,0.2137598,0.3520874,-0.097080
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 VIRTUE IS LEARNED AT YOUR MOTHER'S KNEE,
 VICES ARE PICKED UP AT SOME OTHER JOINT.
 Job cpu time:       0 days 14 hours 10 minutes 24.9 seconds.
 Elapsed time:       0 days  1 hours 46 minutes 27.8 seconds.
 File lengths (MBytes):  RWF=    462 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 17:31:23 2021.
